SCHEMBL20008961

SCHEMBL20008961

CC(C)N1CCC(O)(Cc2ccccc2)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.61
OPRM1 P35372 5/20 0.61
OPRD1 P41143 5/20 0.61
OPRK1 P41145 5/20 0.61
CYP2D6 P10635 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SLC6A4 P31645 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
SCHEMBL9963238 0.90 OPRL1 (0.69) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL8601751 0.79 GRIN2B (0.61) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL7331082 0.79 GRIN2B (0.61) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL7331087 0.79 GRIN2B (0.61) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL18081021 0.79 OPRM1 (0.54) OPRL1OPRM1OPRD1OPRK1GRIN2D
SCHEMBL13957387 0.78 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL9963240 0.76 GRIN2B (0.54) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL20012542 0.76 OPRL1 (0.51) OPRL1OPRM1OPRD1OPRK1GRIN2D
SCHEMBL20008955 0.76 CYP2D6 (0.44) OPRL1OPRM1OPRD1OPRK1CYP2D6
SCHEMBL20147416 0.75 OPRM1 (0.50) OPRL1OPRM1OPRD1OPRK1CYP2D6

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-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 OPRL1 2990/4885OPRM1 2267/4885OPRD1 3963/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 OPRL1 2990/4885OPRM1 2267/4885OPRD1 3963/4885

“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.