SCHEMBL5410973

SCHEMBL5410973

COc1c(OC2CCC(NC(C)=O)CC2)ccc2[nH]ncc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.40
MAP4K1 Q92918 2/20 0.39
CDK2 P24941 3/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
FLT3 P36888 1/20 0.39
CCNA1 P78396 1/20 0.39
ERN1 O75460 1/20 0.39
NTRK1 P04629 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
LDHA P00338 1/20 0.37
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNE2 O96020 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNE1 P24864 1/20 0.36

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
SCHEMBL5410966 1.00 TRPV1 (0.40) TRPV1MAP4K1CDK2MTNR1AMTNR1B
SCHEMBL5415366 0.88 MAP4K1 (0.39) TRPV1MAP4K1MTNR1AMTNR1BNTRK1
SCHEMBL5415357 0.88 MAP4K1 (0.39) TRPV1MAP4K1MTNR1AMTNR1BNTRK1
SCHEMBL5418059 0.87 TRPV1 (0.40) TRPV1MAP4K1CDK2MTNR1AMTNR1B
SCHEMBL5418061 0.87 TRPV1 (0.40) TRPV1MAP4K1CDK2MTNR1AMTNR1B
SCHEMBL5418056 0.87 TRPV1 (0.40) TRPV1MAP4K1CDK2MTNR1AMTNR1B
SCHEMBL5419632 0.86 AXL (0.41) TRPV1CDK2FLT3CCNA1ERN1
SCHEMBL5419472 0.86 AXL (0.41) TRPV1CDK2FLT3CCNA1ERN1
SCHEMBL5419469 0.86 AXL (0.41) TRPV1CDK2FLT3CCNA1ERN1
SCHEMBL5408627 0.83 CYP4F2 (0.38) TRPV1MAP4K1CDK2FLT3CCNA1

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA TRPV1 4181/4885MAP4K1 109/4885CDK2 443/4885

“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.