SCHEMBL19083727

SCHEMBL19083727

CC1(F)CCN(Cc2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.46
OPRM1 P35372 1/20 0.46
TRAP1 Q12931 3/20 0.41
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ADRA1B P35368 1/20 0.39
SCN1A P35498 1/20 0.39
SCN4A P35499 1/20 0.39
SCN7A Q01118 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90B1 P14625 1/20 0.38

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
SCHEMBL19083881 0.89 FAAH (0.47) OPRL1OPRM1DRD2ALDH1A1KDM4E
SCHEMBL20697775 0.88 OPRL1 (0.46) OPRL1OPRM1TRAP1DRD2ALDH1A1
SCHEMBL19083729 0.86 OPRL1 (0.46) OPRL1OPRM1TRAP1ALDH1A1MAOB
SCHEMBL21075502 0.83 POLB (0.49) OPRL1DRD2ALDH1A1KDM4EMAOA
SCHEMBL4236352 0.83 ALDH1A1 (0.58) OPRL1OPRM1TRAP1ALDH1A1MAOB
SCHEMBL19083688 0.83 SCN9A (0.47) OPRL1OPRM1ALDH1A1SCN9AFAAH
SCHEMBL4235827 0.81 ALDH1A1 (0.61) TRAP1ALDH1A1MAOBKDM4EMAOA
SCHEMBL17428664 0.80 DCUN1D1 (0.46) TRAP1ALDH1A1KDM4ESCN1ASCN4A
SCHEMBL4242830 0.79 CYP2A13 (0.56) ALDH1A1KDM4ESCN9AMAOA
SCHEMBL21075641 0.77 CYP2D6 (0.40) OPRL1DRD2ALDH1A1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166939-B1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH INC (US) 2019-06-05 EP disclosed
US-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-07-06 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 (1 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-20170190662-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 OPRL1 666/4885OPRM1 1229/4885TRAP1 4497/4885

“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.