SCHEMBL19652142

SCHEMBL19652142

CN(C(=O)C(C)(C)C)C1CCN(CCC2CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 7/20 0.41
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ DRD2 P14416 4/20 0.38
▸ DRD3 P35462 4/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.36
▸ HTR2A P28223 1/20 0.35

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
SCHEMBL19652103 0.86 CCR5 (0.37) CCR5DRD2HTR2A
SCHEMBL19658844 0.84 CCR5 (0.40) CCR5OPRM1OPRD1OPRK1DRD2
SCHEMBL14008935 0.80 ALDH1A1 (0.42) HTR2A
SCHEMBL28003354 0.77 OPRM1 (0.42) CCR5OPRM1OPRD1OPRK1
SCHEMBL12783395 0.77 MCHR1 (0.41) —
SCHEMBL14707761 0.75 DPP4 (0.44) —
SCHEMBL17589228 0.75 DPP4 (0.36) CCR5
SCHEMBL19652165 0.74 HTR4 (0.41) OPRM1OPRD1OPRK1
SCHEMBL18907728 0.73 DPP4 (0.40) —
SCHEMBL19652163 0.73 CCR5 (0.55) CCR5OPRM1OPRD1OPRK1HTR2A

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 4350/4885OPRD1 3596/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885OPRM1 4350/4885OPRD1 3596/4885

“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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