SCHEMBL3324858

SCHEMBL3324858

Cc1nccc2nc(NCCN3CCC(Oc4ccc(C(F)(F)F)cc4)CC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.46
PROKR1 Q8TCW9 1/20 0.46
CARM1 Q86X55 3/20 0.42
PRMT6 Q96LA8 3/20 0.42
HRH3 Q9Y5N1 3/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ADRB2 P07550 1/20 0.37
MCHR1 Q99705 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
SLC6A5 Q9Y345 2/20 0.37
ROCK1 Q13464 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL3319691 0.90 CARM1 (0.44) FPR2PROKR1CARM1PRMT6HRH3
SCHEMBL3321712 0.81 HTR1A (0.46)
SCHEMBL3321769 0.80 L3MBTL1 (0.49) ALDH1A1
SCHEMBL3632360 0.80 FPR2 (0.43) FPR2PROKR1CARM1PRMT6HRH3
SCHEMBL3324396 0.78 CYP1A2 (0.46) HRH3ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3321755 0.78 HRH3 (0.47) HRH3ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3321161 0.77 CARM1 (0.56) CARM1PRMT6HRH3
SCHEMBL3322417 0.77 HRH3 (0.49) HRH3ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3320637 0.77 HRH3 (0.49) HRH3ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL3321233 0.77 PARP14 (0.49) HRH3ALDH1A1LMNACYP1A2CYP3A4

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 FPR2 410/4885PROKR1 45/4885CARM1 3295/4885

“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.