SCHEMBL680414

SCHEMBL680414

CNCCc1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 1.00
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
AOC3 Q16853 1/20 0.50
ATM Q13315 1/20 0.50
GPR84 Q9NQS5 1/20 0.50
HIF1A Q16665 1/20 0.47
CHRM2 P08172 1/20 0.47
PNMT P11086 1/20 0.46
IDO1 P14902 1/20 0.46
CNR1 P21554 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTT P42858 1/20 0.46
KCNH2 Q12809 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Formic Acid SCHEMBL5071553 0.89 TAAR1 (0.79) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL11397793 0.88 TAAR1 (0.78) TAAR1SLC6A2SLC6A4SLC6A3AOC3
Trifluoroacetic Acid SCHEMBL5073700 0.83 TAAR1 (0.70) TAAR1SLC6A2SLC6A4SLC6A3GPR84
SCHEMBL29168328 0.83 TAAR1 (0.71) TAAR1ATMPNMTIDO1KDM4E
SCHEMBL10834316 0.82 TAAR1 (0.69) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL13590816 0.80 TAAR1 (0.67) TAAR1ATMHIF1AKDM4EALDH1A1
SCHEMBL13911221 0.79 TAAR1 (0.66) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL21369337 0.78 TAAR1 (0.64) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL7234817 0.78 TAAR1 (0.64) TAAR1SLC6A2SLC6A4SLC6A3AOC3
SCHEMBL6888349 0.78 TAAR1 (0.64) TAAR1SLC6A2SLC6A4SLC6A3AOC3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 111 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501830-B1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-05 EP claimed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US claimed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US claimed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US claimed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US claimed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP claimed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP claimed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO claimed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO claimed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA, INC. 2023-05-18 US disclosed
WO-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed
WO-2021188620-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION COCRYSTAL PHARMA INC. (US) 2021-09-23 WO disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-6593335-B1 Disease than can be ameliorated with a potassium channel opener in a host mammal, comprising administering to the mammal in need thereof a therapeutically effective amount of the compound of claim 1; said disease is epilepsy, Raynaud's ABBOTT LABORATORIES 2003-07-15 US disclosed
US-6437147-B1 FOR THERAPY OF DISEASES OF CENTRAL NERVOUS SYSTEM, PERIPHERAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGICAL SYSTEM NOVO NORDISK (DK) 2002-08-20 US disclosed
US-20020058659-A1 Imidazole compounds HIGH POINT PHARMACEUTICALS, LLC 2002-05-16 US disclosed
EP-1194429-A1 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-10 EP disclosed
WO-2000078768-A1 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2000-12-28 WO disclosed
EP-0163948-A1 Process for producing an indoline IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1985-12-11 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230151034-A1 PEPTIDOMIMETIC N5-METHYL-N2-(NONANOYL-L-LEUCYL)-L-GLUTAMINATE DERIVATIVES, TRIAZASPIRO[4.14]NONADECANE DERIVATIVES AND SIMILAR COMPOUNDS AS INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION ASNS, GLUL, GNMT TAAR1 1967/4885SLC6A2 3544/4885SLC6A4 3375/4885
US-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 TAAR1 188/4885SLC6A2 1342/4885SLC6A4 1347/4885
US-20020058659-A1 Imidazole compounds HRH3, HRH4, HRH2 TAAR1 76/4885SLC6A2 830/4885SLC6A4 841/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE TAAR1 1785/4885SLC6A2 2243/4885SLC6A4 3476/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE TAAR1 1785/4885SLC6A2 2243/4885SLC6A4 3476/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 TAAR1 1467/4885SLC6A2 448/4885SLC6A4 629/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.