SCHEMBL3322338

SCHEMBL3322338

Cc1nccc2nc(NCCN3CCC(NS(=O)(=O)Cc4ccccc4)CC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
AKT1 P31749 1/20 0.40
ACHE P22303 3/20 0.39
BACE1 P56817 1/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP1A2 P05177 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2C19 P33261 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HTR1A P08908 4/20 0.39
HTR7 P34969 4/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3320793 0.87 HTR1A (0.52) HTR1AHTR7
SCHEMBL3324981 0.84 TSHR (0.41) ALDH1A1CYP3A4CYP2D6CYP1A2CLK4
SCHEMBL3318445 0.82 PRMT6 (0.54) HTR1ACARM1PRMT6
SCHEMBL3319966 0.81 ACHE (0.48) ACHEBACE1ALDH1A1CYP3A4CYP2D6
SCHEMBL3322228 0.81 ACHE (0.47) ACHEALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3322192 0.81 CARM1 (0.56) ACHECARM1PRMT6
SCHEMBL3321161 0.80 CARM1 (0.56) CARM1PRMT6
SCHEMBL3320690 0.79 SIGMAR1 (0.47) ACHEALDH1A1CYP3A4CYP2D6CYP1A2
SCHEMBL3320215 0.79 CARM1 (0.48) ACHECARM1PRMT6
SCHEMBL3324396 0.79 CYP1A2 (0.46) KDM1AALDH1A1CYP3A4CYP2D6CYP1A2

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 KMT2A 3837/4885AKT1 2783/4885ACHE 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.