SCHEMBL3753611

SCHEMBL3753611

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)[C@@H](N)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.42
LTB4R2 Q9NPC1 6/20 0.41
ABCB11 O95342 1/20 0.41
GP6 Q9HCN6 1/20 0.41
AGTR2 P50052 6/20 0.41
MC4R P32245 1/20 0.39
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39

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
SCHEMBL8076371 0.93 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3744496 0.90 MC4R (0.43) AGTR1LTB4R2AGTR2MC4RMC5R
SCHEMBL10197324 0.87 AGTR1 (0.43) AGTR1LTB4R2AGTR2MC4RMC5R
SCHEMBL11896872 0.86 MC4R (0.48) AGTR1LTB4R2AGTR2MC4RMC5R
SCHEMBL489651 0.85 MC4R (0.40) AGTR1LTB4R2AGTR2MC4RMC5R
SCHEMBL9429547 0.83 LTB4R2 (0.47) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL489225 0.83 AGTR1 (0.39) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL3753609 0.83 AGTR1 (0.42) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL9430018 0.82 LTB4R2 (0.41) AGTR1LTB4R2ABCB11GP6AGTR2
SCHEMBL9430023 0.82 LTB4R2 (0.41) AGTR1LTB4R2ABCB11GP6AGTR2

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 1/4885LTB4R2 816/4885ABCB11 1643/4885

“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.