SCHEMBL3752166

SCHEMBL3752166

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)C(C)N(C(=O)CNC(=O)C(CS)Cc1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
MME P08473 3/20 0.37
MC4R P32245 3/20 0.36
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
CCKBR P32239 4/20 0.34

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
SCHEMBL3752162 0.84 CCKBR (0.47) CCKBR
SCHEMBL489833 0.83 LTB4R2 (0.45) AGTR1MME
SCHEMBL3743922 0.81 MME (0.44) AGTR1MMEMC4RMC5RMC3R
SCHEMBL489652 0.80 MME (0.43) AGTR1MME
SCHEMBL1282882 0.79 MME (0.41) AGTR1MMEMC4RMC5RMC3R
SCHEMBL489321 0.79 AGTR1 (0.43) AGTR1MME
SCHEMBL489197 0.78 AGTR1 (0.39) AGTR1MME
SCHEMBL489583 0.77 CCKBR (0.49) CCKBR
SCHEMBL839267 0.77 MME (0.43) AGTR1MME
SCHEMBL839266 0.77 MME (0.43) AGTR1MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 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 (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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 AGTR1 1/4885MME 5/4885MC4R 110/4885

“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.