SCHEMBL7108734

SCHEMBL7108734

NCc1ccc(Cl)cc1CNC(=O)N1CCC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.57
F2 P00734 13/20 0.53
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
F10 P00742 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
F12 P00748 1/20 0.49
F7 P08709 1/20 0.49

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
SCHEMBL7113759 0.79 ALDH1A1 (0.48) EPHX2HTR2CHTR2B
SCHEMBL13874784 0.76 EPHX2 (0.73) EPHX2
SCHEMBL13873466 0.74 EPHX2 (0.78) EPHX2
SCHEMBL5471267 0.73 MAPK8 (0.56) EPHX2
SCHEMBL13873352 0.73 EPHX2 (0.69) EPHX2
SCHEMBL13873356 0.73 EPHX2 (1.00) EPHX2
SCHEMBL10058210 0.73 F2 (0.63) F2F10PRSS1PRSS2PRSS3
SCHEMBL14413547 0.73 EPHX2 (0.76) EPHX2
SCHEMBL6925911 0.72 F2 (0.47) EPHX2F2F10PRSS1PRSS2
SCHEMBL13873458 0.72 EPHX2 (0.77) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528503-B2 Anticoagulants MERCK & CO., INC. 2003-03-04 US disclosed
US-20030013700-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2003-01-16 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-20030013700-A1 Thrombin inhibitors TFPI, PLAT, TFPI2 EPHX2 1735/4885F2 6/4885HTR2C 285/4885

“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.