SCHEMBL489590

SCHEMBL489590

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

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.38
MME P08473 10/20 0.38
AGTR2 P50052 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP8 P22894 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
SCHEMBL8058387 1.00 AGTR1 (0.38) AGTR1MMEAGTR2ITGB3ITGA2B
SCHEMBL489591 1.00 AGTR1 (0.38) AGTR1MMEAGTR2ITGB3ITGA2B
SCHEMBL489485 0.94 AGTR1 (0.38) AGTR1MMEAGTR2ITGB3ITGA2B
SCHEMBL489411 0.94 AGTR1 (0.39) AGTR1MMEAGTR2LTB4R2
SCHEMBL489778 0.93 CCKBR (0.40) AGTR1MMEAGTR2
SCHEMBL489776 0.93 CCKBR (0.40) AGTR1MMEAGTR2
SCHEMBL3695208 0.92 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2BLTB4R2
SCHEMBL1282992 0.92 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2BLTB4R2
SCHEMBL1282994 0.92 AGTR1 (0.39) AGTR1AGTR2ITGB3ITGA2BLTB4R2
SCHEMBL489189 0.91 AGTR1 (0.38) AGTR1MMEAGTR2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 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 (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 5/4885AGTR2 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.