SCHEMBL3322757

SCHEMBL3322757

Cc1nccc2nc(NCCN3CCC(S(=O)(=O)NC(c4ccccc4)c4ccccc4)CC3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 3/20 0.38
CLK4 Q9HAZ1 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 2/20 0.38
LMNA P02545 1/20 0.38
CCR5 P51681 1/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR1A P08908 3/20 0.37
ACHE P22303 3/20 0.36
KDM1A O60341 1/20 0.35
SLC2A1 P11166 2/20 0.35
PARP1 P09874 1/20 0.35
USP2 O75604 1/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34

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
SCHEMBL3321901 0.80 NPY5R (0.43) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3321682 0.80 NPY5R (0.39) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3321233 0.80 PARP14 (0.49) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3320793 0.79 HTR1A (0.52) HTR1A
SCHEMBL3324396 0.78 CYP1A2 (0.46) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3318445 0.78 PRMT6 (0.54) HTR1ACARM1PRMT6
SCHEMBL3326049 0.78 HTR2A (0.45) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3321755 0.78 HRH3 (0.47) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL3326377 0.77 CACNA2D1 (0.47) CCR5
SCHEMBL3322338 0.77 KMT2A (0.40) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1

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 CYP1A2 2151/4885CYP3A4 2690/4885CYP2D6 1654/4885

“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.