SCHEMBL3744481

SCHEMBL3744481

NC(=O)CCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)[CH]CO

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.37
AGTR2 P50052 7/20 0.35
LPAR1 Q92633 3/20 0.35
LTB4R2 Q9NPC1 6/20 0.34

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
SCHEMBL3743343 0.90 AGTR1 (0.35) AGTR1AGTR2LPAR1LTB4R2
SCHEMBL3753609 0.79 AGTR1 (0.42) AGTR1AGTR2LTB4R2
SCHEMBL2976631 0.79 AGTR1 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL2969136 0.76 AGTR1 (0.58) AGTR1AGTR2LTB4R2
SCHEMBL3042 0.76 AGTR1 (0.54) AGTR1AGTR2LTB4R2
SCHEMBL2971001 0.76 AGTR1 (0.51) AGTR1AGTR2LTB4R2
SCHEMBL2510 0.76 AGTR1 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL7271515 0.76 AGTR1 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL2976637 0.76 AGTR1 (0.53) AGTR1AGTR2LTB4R2
SCHEMBL8076371 0.76 AGTR1 (0.42) AGTR1AGTR2LTB4R2

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 3 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-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 1/4885AGTR2 3/4885LPAR1 220/4885

“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.