SCHEMBL19652196

SCHEMBL19652196

CN1CCC(C)(CNC(=O)C(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CACNA1H O95180 2/20 0.35
DRD4 P21917 8/20 0.34
DRD2 P14416 7/20 0.34
ROCK2 O75116 1/20 0.34
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL20462570 0.85 OPRM1 (0.38) OPRM1CACNA1HPREPFAP
SCHEMBL19652200 0.82 SIGMAR1 (0.34) SIGMAR1CACNA1HPREPFAP
SCHEMBL20462571 0.82 OPRM1 (0.33) OPRM1SIGMAR1PREPFAP
SCHEMBL19658398 0.80 OPRM1 (0.45) OPRM1ROCK2P2RX7HTT
SCHEMBL16501771 0.73 SCN1A (0.33) OPRM1SIGMAR1CACNA1H
SCHEMBL20464427 0.73 EPHX1 (0.40)
SCHEMBL21652046 0.70
SCHEMBL20462573 0.70 POLB (0.33) CACNA1HPREPFAPP2RX7
SCHEMBL9965988 0.70 CHRM5 (0.60) DRD4P2RX7
SCHEMBL16421070 0.69 NPSR1 (0.50) SIGMAR1CACNA1HDRD4DRD2

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 OPRM1 4350/4885SIGMAR1 1530/4885CACNA1H 2816/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 OPRM1 4350/4885SIGMAR1 1530/4885CACNA1H 2816/4885

“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.