SCHEMBL2976115

SCHEMBL2976115

NCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 5/20 0.45
AGTR1 P30556 6/20 0.36
AGTR2 P50052 3/20 0.36
ROCK1 Q13464 1/20 0.33
LPAR1 Q92633 1/20 0.33
MC4R P32245 1/20 0.33
MC3R P41968 1/20 0.33
FSHR P23945 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR5A P47898 1/20 0.33
MAPK1 P28482 1/20 0.32
REN P00797 1/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL2962647 0.96 LTB4R2 (0.41) LTB4R2AGTR1AGTR2SLC6A4HTR5A
SCHEMBL2976110 0.89 LTB4R2 (0.42) LTB4R2AGTR1AGTR2FSHRSLC2A1
SCHEMBL2974412 0.87 HTR5A (0.47) LTB4R2AGTR1MC4RMC3RSLC6A4
SCHEMBL2970922 0.86 AGTR1 (0.41) LTB4R2AGTR1AGTR2
SCHEMBL2977246 0.85 LTB4R2 (0.48) LTB4R2AGTR1AGTR2LPAR1MC4R
SCHEMBL2962639 0.85 LTB4R2 (0.39) LTB4R2AGTR1AGTR2SLC6A4HTR5A
SCHEMBL841090 0.84 AGTR1 (0.46) LTB4R2AGTR1AGTR2MC4RMC3R
SCHEMBL840462 0.83 LTB4R2 (0.44) LTB4R2AGTR1AGTR2MC4RMC3R
SCHEMBL2969141 0.83 AGTR1 (0.54) LTB4R2AGTR1AGTR2
SCHEMBL2977812 0.82 MLNR (0.42) ROCK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 US disclosed
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 US 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 (5 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885AGTR2 3/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885AGTR2 3/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885AGTR2 3/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 LTB4R2 289/4885AGTR1 2/4885AGTR2 3/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 698/4885AGTR1 1/4885AGTR2 3/4885

“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.