SCHEMBL1708854

SCHEMBL1708854

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

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.37
CMKLR1 Q99788 1/20 0.36
AGTR1 P30556 2/20 0.35
AGTR2 P50052 1/20 0.35
CTSS P25774 3/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL10198206 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL489651 0.84 MC4R (0.40) CMKLR1AGTR1AGTR2
SCHEMBL489864 0.84 MMP8 (0.36) CMKLR1AGTR1AGTR2
SCHEMBL13043344 0.81 AGTR1 (0.34) CMKLR1AGTR1AGTR2
SCHEMBL10198213 0.81 AGTR1 (0.34) CMKLR1AGTR1AGTR2
SCHEMBL10197324 0.80 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL3695208 0.79 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2B
SCHEMBL1282994 0.79 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2B
SCHEMBL1282992 0.79 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2B
SCHEMBL8076371 0.78 AGTR1 (0.42) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
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 (3 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 CTSK 449/4885CMKLR1 398/4885AGTR1 1/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSK 449/4885CMKLR1 398/4885AGTR1 1/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CTSK 449/4885CMKLR1 398/4885AGTR1 1/4885

“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.