SCHEMBL3321161

SCHEMBL3321161

Cc1nccc2nc(NCCN3CCC(OCc4ccccc4)CC3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 20/20 0.56
PRMT6 Q96LA8 20/20 0.56
PRMT8 Q9NR22 3/20 0.56
TMEM97 Q5BJF2 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
PRMT3 O60678 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
SCHEMBL3319035 0.88 CARM1 (0.42) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL3318445 0.85 PRMT6 (0.54) CARM1PRMT6PRMT8TMEM97SIGMAR1
SCHEMBL3321233 0.83 PARP14 (0.49) HRH3
SCHEMBL3319966 0.83 ACHE (0.48) SIGMAR1
SCHEMBL3322228 0.83 ACHE (0.47) SIGMAR1
SCHEMBL3322192 0.83 CARM1 (0.56) CARM1PRMT6
SCHEMBL3320690 0.82 SIGMAR1 (0.47) SIGMAR1
SCHEMBL3320215 0.82 CARM1 (0.48) CARM1PRMT6SIGMAR1HRH3
SCHEMBL3324396 0.81 CYP1A2 (0.46) HRH3
SCHEMBL3321755 0.81 HRH3 (0.47) HRH3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US claimed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US claimed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP claimed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO claimed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO 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 (1 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 CARM1 3295/4885PRMT6 2129/4885PRMT8 2198/4885

“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.