SCHEMBL696162

SCHEMBL696162

Clc1ccccc1CNC1CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
TP53 P04637 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
KDM1A O60341 1/20 0.56
GLA P06280 1/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.54
BCHE P06276 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CHRM2 P08172 1/20 0.48
CXCR4 P61073 2/20 0.47

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
SCHEMBL8265284 0.92 HTT (0.61) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL11684887 0.91 HTT (0.64) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL24093077 0.91 HTT (0.64) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL11682509 0.91 HTT (0.64) MEN1KMT2ATP53CYP3A4CYP2D6
Formic Acid SCHEMBL5073529 0.90 MEN1 (0.57) MEN1KMT2ATP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11684770 0.89 HTT (0.67) MEN1KMT2ATP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL11687432 0.89 HTT (0.67) MEN1KMT2ATP53CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL70660 0.86 SLC6A2 (0.51) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL12061485 0.85 GAA (0.52) MEN1KMT2ATP53CYP3A4CYP2D6
SCHEMBL64531 0.85 GLA (0.56) MEN1KMT2ATP53CYP3A4CYP2D6

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 72 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-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US 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
CN-101223140-A Piperidine derivatives useful in the diagnostic and therapeutic treatment of diseases depending on renin activity NOVARTIS AG (CH) 2008-07-16 CN claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP claimed
EP-1620403-B1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-11-28 EP claimed
CN-1972912-A Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2007-05-30 CN claimed
WO-2007034445-A2 NOVEL PIPERAZINE DERIVATIVES AS RENIN INHIBITORS FOR CARDIOVASCULAR EVENTS AND RENAL INSUFFICIENCY ACTELION PHARMACEUTICALS LTD (CH) 2007-03-29 WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 WO claimed
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2006-10-19 US claimed
EP-1620403-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-01 EP 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
CN-1649870-A 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) 2005-08-03 CN 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-2004096769-A1 NOVEL 3,4-DISUBSTITUTED 1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO 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

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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 MEN1 2386/4885KMT2A 3192/4885TP53 3827/4885
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 MEN1 2389/4885KMT2A 4221/4885TP53 4870/4885
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 MEN1 2389/4885KMT2A 4221/4885TP53 4870/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 MEN1 2862/4885KMT2A 3384/4885TP53 4689/4885
US-20060235056-A1 Novel 3,4-disubstituted 1,2,3,6-tetrahydropyridine derivatives REN, ACE, ACE2 MEN1 2521/4885KMT2A 3732/4885TP53 4565/4885

“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.