SCHEMBL4272052

SCHEMBL4272052

Cc1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Cl)cn2)c(OCCCN2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.54
F10 P00742 9/20 0.48
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
F2 P00734 1/20 0.44
EGFR P00533 1/20 0.44
EPHX2 P34913 3/20 0.44
NR3C1 P04150 1/20 0.42
MET P08581 1/20 0.42
HTT P42858 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL4272045 0.91 NPC1 (0.53) TRPV4F10HTR2AHTR2CF2
SCHEMBL4274332 0.90 TRPV4 (0.51) TRPV4F10HTR2AHTR2CF2
Hydrochloric Acid SCHEMBL4269655 0.89 TRPV4 (0.51) TRPV4F10HTR2AHTR2CF2
SCHEMBL13608543 0.83 MET (0.47) TRPV4F10F2MET
SCHEMBL4269631 0.83 F10 (0.47) F10HTT
Hydrochloric Acid SCHEMBL4274524 0.82 MET (0.46) TRPV4F10F2MET
SCHEMBL5804190 0.81 F10 (0.51) TRPV4F10
SCHEMBL3901677 0.80 F10 (0.50) TRPV4F10
SCHEMBL5805453 0.79 F10 (0.49) TRPV4F10
Trifluoroacetic Acid SCHEMBL3902354 0.78 F10 (0.47) TRPV4F10

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-7615568-B2 3-[2-(cis-4-aminocyclohexyloxy)-4-methylsulfonylbenzoyl-amino]-N-(5-chloropyridin-2-yl)pyridine-2-carboxamide,; anticoagulant; platelet glycoprotein receptor antagonist; thrombosis; orally; acylation of amino-pyridine by (methylthio)benzoic acid followed by oxidation, alkylation, carbonylation ELI LILLY AND COMPANY (US) 2009-11-10 US disclosed
US-20080108594-A1 Antithrombotic Ethers ELI LILLY AND COMPANY (US) 2008-05-08 US disclosed
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP 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-20080108594-A1 Antithrombotic Ethers F11, SERPINC1, F2 TRPV4 3065/4885F10 16/4885HTR2A 4550/4885

“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.