SCHEMBL3324567

SCHEMBL3324567

Cc1nccc2nc(N[C@H]3CCN(Cc4ccccc4)C3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.56
CXCR4 P61073 1/20 0.53
ENPP2 Q13822 1/20 0.52
ROCK2 O75116 5/20 0.52
OPRK1 P41145 1/20 0.52
ACHE P22303 5/20 0.48
BACE1 P56817 3/20 0.48
BCHE P06276 3/20 0.48
CYP3A4 P08684 1/20 0.46
ROCK1 Q13464 2/20 0.46
CCR2 P41597 1/20 0.46
EHMT2 Q96KQ7 2/20 0.46
SCN1A P35498 1/20 0.46
SCN8A Q9UQD0 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
SCHEMBL3322265 1.00 HRH3 (0.56) HRH3CXCR4ENPP2ROCK2OPRK1
SCHEMBL3320010 0.79 ACHE (0.57) ACHEBCHE
SCHEMBL13326542 0.78 DRD2 (0.65) HRH3CXCR4ROCK2OPRK1ACHE
SCHEMBL3319966 0.77 ACHE (0.48) ACHEBACE1CYP3A4
SCHEMBL2418049 0.77 SSTR5 (0.59)
SCHEMBL2531215 0.75 PHGDH (0.57) HRH3CXCR4ENPP2ROCK2OPRK1
SCHEMBL13631909 0.75 PHGDH (0.57) HRH3CXCR4ENPP2ROCK2OPRK1
SCHEMBL2417786 0.75 SSTR5 (0.61) ACHE
SCHEMBL7828368 0.75 NOS3 (0.58) HRH3CXCR4ROCK2ACHEBACE1
SCHEMBL2536213 0.74 DNMT3A (0.56) ROCK2OPRK1ACHEBACE1EHMT2

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 11 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
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 HRH3 265/4885CXCR4 1049/4885ENPP2 116/4885

“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.