SCHEMBL3320786

SCHEMBL3320786

Cc1nccc2nc(NCCCN3CCC(Cc4ccccc4)CC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 2/20 0.49
CARM1 Q86X55 1/20 0.49
KCNH2 Q12809 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
TMEM97 Q5BJF2 2/20 0.47
CCR3 P51677 2/20 0.47
DRD4 P21917 1/20 0.47
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 1/20 0.46
SLC6A4 P31645 3/20 0.46
MAPT P10636 1/20 0.46
GRIN2B Q13224 1/20 0.46

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
SCHEMBL3318445 0.94 PRMT6 (0.54) PRMT6CARM1KCNH2SIGMAR1TMEM97
SCHEMBL3320215 0.84 CARM1 (0.48) PRMT6CARM1SIGMAR1CCR3GRIN2B
SCHEMBL3322192 0.84 CARM1 (0.56) PRMT6CARM1KCNH2DRD4GRIN2B
SCHEMBL3321544 0.83 PRMT6 (0.54) PRMT6CARM1KCNH2SIGMAR1TMEM97
SCHEMBL3322526 0.83 NMT1 (0.48)
SCHEMBL3321591 0.83 HRH3 (0.51)
SCHEMBL3320312 0.83 HRH3 (0.51)
SCHEMBL3320690 0.82 SIGMAR1 (0.47) SIGMAR1GRIN2B
SCHEMBL3321799 0.82 PRMT6 (0.50) PRMT6CARM1KCNH2CCR3DRD4
SCHEMBL3320600 0.82 PRMT6 (0.49) PRMT6CARM1SIGMAR1TMEM97CCR3

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 PRMT6 2129/4885CARM1 3295/4885KCNH2 3104/4885

“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.