SCHEMBL681408

SCHEMBL681408

CNCCc1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 1.00
TMEM97 Q5BJF2 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
ATM Q13315 2/20 0.60
CYP1A2 P05177 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
IDO1 P14902 1/20 0.52
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.48
GMNN O75496 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
Hydrochloric Acid SCHEMBL30954604 0.98 TAAR1 (0.95) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL10156581 0.87 TAAR1 (0.76) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL655752 0.86 TAAR1 (0.76) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL6849740 0.85 TAAR1 (0.73) TAAR1TMEM97SIGMAR1CYP1A2CYP2D6
Trifluoroacetic Acid SCHEMBL5071495 0.82 TAAR1 (0.68) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL4592122 0.81 TAAR1 (0.68) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL5681339 0.80 TAAR1 (0.67) TAAR1SIGMAR1CYP1A2CYP2D6CYP2C19
SCHEMBL19334405 0.78 TAAR1 (0.62) TAAR1CYP1A2CYP2D6CYP2C19MAPT
SCHEMBL17919923 0.78 TAAR1 (0.64) TAAR1TMEM97SIGMAR1ATMCYP1A2
SCHEMBL3060595 0.78 TAAR1 (0.64) TAAR1TMEM97SIGMAR1ATMCYP1A2

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 179 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
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-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-11826350-B2 Proline-based neuropeptide FF receptor modulators RESEARCH TRIANGLE INSTITUTE (US) 2023-11-28 US disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
US-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT OSAKA UNIVERSITY (JP) 2023-10-12 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
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
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-02-07 US disclosed
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2022-06-30 US disclosed
EP-0138504-B1 STEROID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-20 EP disclosed
US-4659516-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-21 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4577020-A Aminoalkyl and aminoalkenyl triazoles as anti-psychotic agents THE UPJOHN COMPANY (US) 1986-03-18 US disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4338453-A Aminoalkyl-1,2,4-triazoles THE UPJOHN COMPANY (US) 1982-07-06 US disclosed
US-3976634-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-08-24 US 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 (5 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 1967/4885TMEM97 4108/4885SIGMAR1 1262/4885
US-20230321251-A1 LIPOSOME FORMULATION CONTAINING ANTIBACTERIAL AGENT LIPA, LIPG, LIPC TAAR1 4161/4885TMEM97 428/4885SIGMAR1 1703/4885
US-11572337-B2 Antibacterial agents: arylalkylcarboxamido phloroglucinols RNGTT, FBL, POLR1C TAAR1 4283/4885TMEM97 4758/4885SIGMAR1 4312/4885
US-11826350-B2 Proline-based neuropeptide FF receptor modulators NPFFR1, NPFFR2, NPBWR1 TAAR1 88/4885TMEM97 1188/4885SIGMAR1 183/4885
US-20220204497-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME TPX2, AIMP2, CDYL2 TAAR1 4523/4885TMEM97 1962/4885SIGMAR1 4507/4885

“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.