SCHEMBL19626677

SCHEMBL19626677

CC(C)NCC1Cc2ccccc2CN1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
HTR2C P28335 1/20 0.40
PDE8B O95263 1/20 0.37
CXCR4 P61073 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
CYP2D6 P10635 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ACE P12821 2/20 0.35
SIGMAR1 Q99720 1/20 0.34
OPRD1 P41143 3/20 0.34
OPRK1 P41145 3/20 0.34

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
SCHEMBL13337023 0.83 CXCR4 (0.41) OPRM1OPRL1HTR2CCXCR4FNTA
SCHEMBL16327619 0.82 HTR2A (0.46) OPRM1OPRL1ALDH1A1MAPK1HTR2C
SCHEMBL25894886 0.79 OPRM1 (0.46) OPRM1OPRL1ALDH1A1MAPK1PDE8B
SCHEMBL19046969 0.79 OPRM1 (0.46) OPRM1OPRL1ALDH1A1MAPK1PDE8B
SCHEMBL25894888 0.79 OPRM1 (0.46) OPRM1OPRL1ALDH1A1MAPK1PDE8B
SCHEMBL32676862 0.78 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPK1HTR2C
SCHEMBL30095938 0.78 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPK1HTR2C
SCHEMBL32676674 0.78 OPRM1 (0.48) OPRM1OPRL1ALDH1A1MAPK1HTR2C
SCHEMBL20370041 0.78 ALDH1A1 (0.36) OPRM1OPRL1ALDH1A1MAPK1FNTA
SCHEMBL32676904 0.77 OPRM1 (0.44) OPRM1OPRL1ALDH1A1MAPK1OPRD1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10358437-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-07-23 US disclosed
US-10316023-B2 2019-06-11 US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 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 (3 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-10316023-B2 PKD1, NHERF1, PCSK6 OPRM1 2947/4885OPRL1 1255/4885ALDH1A1 1008/4885
US-20170334883-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF PKD1, NHERF1, HDAC10 OPRM1 3220/4885OPRL1 1366/4885ALDH1A1 782/4885
US-10358437-B2 Therapeutic compounds and uses thereof PKD1, NHERF1, HDAC10 OPRM1 3220/4885OPRL1 1366/4885ALDH1A1 782/4885

“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.