SCHEMBL3320364

SCHEMBL3320364

Cc1nccc2nc(OCCN3CCNC3=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.40
BRD4 O60885 1/20 0.39
SCN5A Q14524 2/20 0.39
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 1/20 0.37
GABRA5 P31644 1/20 0.36
HPGDS O60760 1/20 0.36
RAB9A P51151 1/20 0.36
ALK Q9UM73 1/20 0.35
PDK2 Q15119 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL3317233 0.79 MEN1 (0.50) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3322668 0.79 MAOA (0.52) KMT2AMEN1MAPTPOLBMAOA
SCHEMBL3321913 0.78 MEN1 (0.49) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3320336 0.78 MEN1 (0.52) KMT2AMEN1MAPT
SCHEMBL3321404 0.75 MEN1 (0.45) KMT2AMEN1MAPTRAB9APOLB
SCHEMBL3319162 0.71 TMEM97 (0.57) KMT2AMEN1SMN1; SMN2
SCHEMBL12017296 0.71 HTR7 (0.47) SMN1; SMN2MAOA
SCHEMBL3322615 0.69 CHRNB2 (0.60)
SCHEMBL3322622 0.69 CHRNB2 (0.60)
SCHEMBL14024446 0.69 PDE3B (0.37) PDE3BPDE3AMAOA

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 SCN9A 2978/4885BRD4 4457/4885SCN5A 2617/4885

“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.