SCHEMBL25359809

SCHEMBL25359809

O=C(C(O)c1cccc(Cl)c1)N1CCc2nc(C3(c4cccc(Cl)c4)CC3)[nH]c(=O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MTHFD2 P13995 8/20 0.39
▸ CLPP Q16740 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ RET P07949 2/20 0.33
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 1/20 0.32

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
SCHEMBL30282693 1.00 ROCK2 (0.42) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23973779 1.00 ROCK2 (0.42) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23972214 0.96 MTHFD2 (0.42) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23973729 0.96 MTHFD2 (0.42) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL30283793 0.95 MTHFD2 (0.40) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL31406779 0.95 ROCK2 (0.38) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23972998 0.95 MTHFD2 (0.40) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23973366 0.95 ROCK2 (0.38) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL23973585 0.95 ROCK2 (0.41) ROCK2CYP3A4MTHFD2CLPPMAPT
SCHEMBL30284033 0.95 ROCK2 (0.41) ROCK2CYP3A4MTHFD2CLPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES RAQUALIA PHARMA INC. (JP) 2023-08-17 — — 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-20230255965-A1 TRPV4 INHIBITOR AS A THERAPEUTIC AGENT FOR OCULAR DISEASES TRPV4, TRPV5, TRPV2 ROCK2 888/4885CYP3A4 2664/4885MTHFD2 4090/4885

“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.

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