SCHEMBL3320690

SCHEMBL3320690

Cc1nccc2nc(NCCN3CCN(CCCc4ccccc4)CC3)ccc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.47
GRIN2B Q13224 1/20 0.46
ACHE P22303 4/20 0.45
POLB P06746 1/20 0.45
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
HTR1A P08908 1/20 0.41
SLC2A1 P11166 1/20 0.41

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
SCHEMBL3322228 0.94 ACHE (0.47) SIGMAR1ACHECCNT1CDK9ALDH1A1
SCHEMBL3319966 0.89 ACHE (0.48) SIGMAR1ACHEALDH1A1CYP1A2CYP3A4
SCHEMBL3320215 0.89 CARM1 (0.48) SIGMAR1GRIN2BACHECCNT1CDK9
SCHEMBL3322192 0.87 CARM1 (0.56) GRIN2BACHE
SCHEMBL3318445 0.84 PRMT6 (0.54) SIGMAR1HTR1A
SCHEMBL3321755 0.84 HRH3 (0.47) ACHEALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3324981 0.84 TSHR (0.41) POLBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3322526 0.83 NMT1 (0.48) ACHEHTR1ASLC2A1
SCHEMBL3322417 0.83 HRH3 (0.49) ACHEALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3320637 0.83 HRH3 (0.49) ACHEALDH1A1CYP1A2CYP3A4CYP2D6

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 9 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
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 SIGMAR1 651/4885GRIN2B 2013/4885ACHE 3281/4885

“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.