SCHEMBL489289

SCHEMBL489289

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)[C@H](CC(N)=O)NC(=O)C(CC(C)C)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 9/20 0.43
ECE1 P42892 1/20 0.35
AGTR1 P30556 8/20 0.35
AGTR2 P50052 3/20 0.34
LTB4R2 Q9NPC1 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33

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
SCHEMBL489263 0.94 MMP8 (0.43) MMP8ECE1AGTR1AGTR2LTB4R2
SCHEMBL489488 0.94 MMP8 (0.43) MMP8ECE1AGTR1AGTR2LTB4R2
SCHEMBL489265 0.94 MMP8 (0.43) MMP8ECE1AGTR1AGTR2LTB4R2
SCHEMBL1282375 0.93 MMP8 (0.37) MMP8ECE1AGTR1AGTR2
SCHEMBL489864 0.92 MMP8 (0.36) MMP8AGTR1AGTR2LTB4R2
SCHEMBL489043 0.91 MMP8 (0.44) MMP8ECE1AGTR1AGTR2LTB4R2
SCHEMBL489110 0.90 CCKBR (0.41) MMP8AGTR1AGTR2
SCHEMBL489109 0.90 CCKBR (0.41) MMP8AGTR1AGTR2
SCHEMBL489777 0.90 MMP8 (0.39) MMP8ECE1AGTR1AGTR2
SCHEMBL489485 0.90 AGTR1 (0.38) AGTR1AGTR2LTB4R2ITGB3ITGA2B

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 MMP8 1142/4885ECE1 34/4885AGTR1 1/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885ECE1 34/4885AGTR1 1/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885ECE1 34/4885AGTR1 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.