SCHEMBL3322382

SCHEMBL3322382

Cc1nccc2nc(NCCCN3CCOCC3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
LMNA P02545 4/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
NPC1 O15118 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
RAD52 P43351 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2D6 P10635 4/20 0.53
CLK4 Q9HAZ1 3/20 0.53
ALOX15 P16050 2/20 0.53
CYP2C19 P33261 3/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
HIF1A Q16665 1/20 0.49

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
SCHEMBL3321591 0.88 HRH3 (0.51) ACP1HRH3
SCHEMBL3320312 0.88 HRH3 (0.51) ACP1HRH3
SCHEMBL3322526 0.88 NMT1 (0.48) RAD52EGFRHRH3
SCHEMBL3321755 0.82 HRH3 (0.47) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL3320637 0.81 HRH3 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3322417 0.81 HRH3 (0.49) LMNAALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3320786 0.81 PRMT6 (0.49) MAPT
SCHEMBL13698127 0.81 ALDH1A1 (0.58) KDM4ELMNAPOLBKMT2ANPSR1
SCHEMBL3633687 0.80 ALDH1A1 (0.45) KDM4ELMNAKMT2AALDH1A1CYP1A2
SCHEMBL3320690 0.79 SIGMAR1 (0.47) POLBALDH1A1CYP1A2CYP3A4CYP2D6

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 16 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-7736757-B2 Light emitting material and organic light-emitting device SHOWA DENKO K.K. (JP) 2010-06-15 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
US-20080290793-A1 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2008-11-27 US disclosed
US-20040247934-A1 Light emitting material and organic light-emitting device SAMSUNG ELECTRONICS CO., LTD (KR) 2004-12-09 US 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 KDM4E 4548/4885LMNA 1517/4885POLB 3504/4885

“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.