SCHEMBL3320135

SCHEMBL3320135

Cc1nccc2nc(NCCN3CCNCC3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.48
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 3/20 0.44
CLK4 Q9HAZ1 2/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
LCK P06239 1/20 0.41
KDR P35968 1/20 0.41
JAK3 P52333 1/20 0.41
TNK2 Q07912 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA1 P00915 2/20 0.40

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
SCHEMBL3321755 0.89 HRH3 (0.47) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3322417 0.88 HRH3 (0.49) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3320637 0.88 HRH3 (0.49) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3633687 0.87 ALDH1A1 (0.45) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3324396 0.85 CYP1A2 (0.46) ALDH1A1CYP3A4CYP2D6CYP1A2CLK4
SCHEMBL3320791 0.84 HTR1A (0.43) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3667245 0.83 ALDH1A1 (0.42) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3319966 0.83 ACHE (0.48) ALDH1A1CYP3A4CYP2D6CYP1A2CLK4
SCHEMBL3316840 0.83 ALDH1A1 (0.42) NMT1ALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3322228 0.83 ACHE (0.47) ALDH1A1CYP3A4CYP2D6CYP1A2CLK4

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 NMT1 403/4885ALDH1A1 4397/4885CYP3A4 2690/4885

“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.