SCHEMBL488998

SCHEMBL488998

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

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 6/20 0.41
AGTR1 P30556 2/20 0.40
AGTR2 P50052 1/20 0.38
FOLH1 Q04609 1/20 0.38
ACE P12821 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
SCHEMBL488999 1.00 CCKBR (0.41) CCKBRAGTR1AGTR2FOLH1ACE
SCHEMBL489503 0.94 CCKBR (0.42) CCKBRAGTR1AGTR2FOLH1
SCHEMBL489501 0.94 CCKBR (0.42) CCKBRAGTR1AGTR2FOLH1
SCHEMBL1282994 0.93 AGTR1 (0.39) AGTR1AGTR2ACE
SCHEMBL1282992 0.93 AGTR1 (0.39) AGTR1AGTR2ACE
SCHEMBL3695208 0.93 AGTR1 (0.39) AGTR1AGTR2ACE
SCHEMBL489776 0.92 CCKBR (0.40) CCKBRAGTR1AGTR2
SCHEMBL489778 0.92 CCKBR (0.40) CCKBRAGTR1AGTR2
SCHEMBL489530 0.88 MME (0.36) AGTR1AGTR2ACE
SCHEMBL489109 0.87 CCKBR (0.41) CCKBRAGTR1AGTR2FOLH1

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 CCKBR 363/4885AGTR1 1/4885AGTR2 3/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CCKBR 363/4885AGTR1 1/4885AGTR2 3/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CCKBR 363/4885AGTR1 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.