SCHEMBL19652163

SCHEMBL19652163

CN(C(=O)C(C)(C)C)C1CCN(CCc2ccccc2F)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 5/20 0.55
▸ OPRM1 P35372 6/20 0.53
▸ CCR4 P51679 1/20 0.49
▸ OPRD1 P41143 1/20 0.48
▸ OPRK1 P41145 1/20 0.48
▸ CACNA1G O43497 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47
▸ HTR2A P28223 2/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL19652134 0.88 CCR5 (0.52) CCR5CACNA1GDPP4DPP8DPP9
SCHEMBL19658478 0.87 CCR5 (0.58) CCR5OPRM1CCR4OPRD1OPRK1
SCHEMBL13588400 0.75 SIGMAR1 (0.62) OPRM1HTR2A
SCHEMBL9675809 0.75 OPRM1 (0.51) CCR5OPRM1CCR4OPRD1OPRK1
SCHEMBL24726576 0.75 OPRM1 (0.62) OPRM1OPRD1OPRK1
SCHEMBL19658477 0.74 CCR5 (0.55) CCR5KMT2A
SCHEMBL9556728 0.74 CACNA1G (0.54) OPRM1CACNA1GHTR2AKMT2A
SCHEMBL19652142 0.73 CCR5 (0.41) CCR5OPRM1OPRD1OPRK1HTR2A
Ammonia Solution, Strong SCHEMBL27785552 0.73 ACHE (0.59) OPRM1CACNA1G
SCHEMBL17753981 0.73 TAF1 (0.68) CCR5OPRM1CCR4OPRD1OPRK1

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-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 — — 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 (2 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 CCR5 1178/4885OPRM1 4350/4885CCR4 1503/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885OPRM1 4350/4885CCR4 1503/4885

“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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