SCHEMBL19764446

SCHEMBL19764446

CC1CC12CCc1ccc(C(N)=O)cc12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.76
OPRM1 P35372 10/20 0.48
OPRD1 P41143 7/20 0.48
OPRK1 P41145 5/20 0.48

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
SCHEMBL19764452 0.90 KDM1A (0.76) KDM1AOPRM1OPRD1OPRK1
SCHEMBL19764448 0.86 KDM1A (0.73) KDM1AOPRD1
SCHEMBL17987988 0.86 KDM1A (1.00) KDM1AOPRM1OPRD1
SCHEMBL17963551 0.79 KDM1A (0.67) KDM1AOPRM1OPRD1OPRK1
SCHEMBL17987996 0.76 KDM1A (1.00) KDM1A
SCHEMBL30219292 0.76 KDM1A (0.62) KDM1AOPRM1OPRD1OPRK1
SCHEMBL13424483 0.76 OPRM1 (0.47) KDM1AOPRM1OPRD1OPRK1
SCHEMBL12442825 0.76 OPRM1 (0.47) KDM1AOPRM1OPRD1OPRK1
SCHEMBL17988049 0.75 KDM1A (0.57) KDM1AOPRM1OPRD1OPRK1
SCHEMBL1118855 0.75 KDM1A (0.54) KDM1AOPRM1OPRD1OPRK1

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-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 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-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, HDAC1, DOT1L KDM1A 7/4885OPRM1 2284/4885OPRD1 3253/4885

“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.