SCHEMBL3320336

SCHEMBL3320336

Cc1nccc2nc(OCCN3CCN(C)CC3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR1A P08908 5/20 0.44
HTR1D P28221 5/20 0.44
HTR1B P28222 5/20 0.44
KCNH2 Q12809 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRB2 P07550 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
BMPR1B O00238 1/20 0.41
ACVR1B P36896 1/20 0.41
ACVRL1 P37023 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
SCHEMBL3321404 0.94 MEN1 (0.45) MEN1MAPTKMT2ASIGMAR1DRD3
SCHEMBL3317233 0.91 MEN1 (0.50) MEN1MAPTKMT2AHTR1AHTR1D
SCHEMBL3321913 0.90 MEN1 (0.49) MEN1MAPTKMT2ASIGMAR1LTA4H
SCHEMBL3322668 0.88 MAOA (0.52) MEN1MAPTKMT2AKCNH2SIGMAR1
SCHEMBL3319162 0.82 TMEM97 (0.57) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL3320364 0.78 SCN9A (0.40) MEN1MAPTKMT2A
SCHEMBL3322660 0.76 DRD4 (0.59) MEN1KMT2AHTR1AHTR1DHTR1B
SCHEMBL12017296 0.74 HTR7 (0.47) HTR1BADRB2HTR7LTA4H
SCHEMBL3628240 0.74 ALDH1A1 (0.34) KCNH2DRD3NOS3NOS1NOS2
SCHEMBL3322526 0.74 NMT1 (0.48) HTR1A

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 MEN1 1823/4885MAPT 182/4885KMT2A 3837/4885

“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.