SCHEMBL20009024

SCHEMBL20009024

CC(C)N1CCN([C@H](C)c2ccccc2)CC1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.87
MC4R P32245 1/20 0.74
OPRM1 P35372 4/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
OPRD1 P41143 2/20 0.56
ALDH1A1 P00352 1/20 0.54
CHRM1 P11229 7/20 0.51
CHRM2 P08172 5/20 0.51
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM3 P20309 1/20 0.48
DRD1 P21728 1/20 0.48
ADRA1D P25100 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 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
SCHEMBL20008969 1.00 CYP2D6 (0.87) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL18704984 1.00 CYP2D6 (0.87) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL7264542 0.93 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL16226061 0.93 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL6706135 0.93 CYP2D6 (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL26241232 0.85 MC4R (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL16226967 0.85 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL2625061 0.85 MC4R (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL19293306 0.85 MC4R (1.00) CYP2D6MC4ROPRM1OPRK1OPRL1
SCHEMBL23850144 0.84 CYP2D6 (0.83) CYP2D6MC4ROPRM1OPRK1OPRL1

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 CYP2D6 4116/4885MC4R 2221/4885OPRM1 2267/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 CYP2D6 4116/4885MC4R 2221/4885OPRM1 2267/4885

“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.