SCHEMBL19083729

SCHEMBL19083729

CC(C)C1(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
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MGLL Q99685 1/20 0.39
TRAP1 Q12931 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MAOB P27338 1/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1G O43497 1/20 0.38
FFAR1 O14842 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL19075631 0.90 FAAH (0.45) OPRL1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL19083727 0.86 OPRL1 (0.46) OPRL1OPRM1SLC6A2SLC6A4KDM4E
SCHEMBL20697775 0.85 OPRL1 (0.46) OPRL1OPRM1SLC6A2SLC6A4KDM4E
SCHEMBL19075617 0.84 SCN9A (0.45) OPRL1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL19075552 0.83 MEN1 (0.41) OPRM1MGLLPOLBCACNA1G
SCHEMBL4236352 0.80 ALDH1A1 (0.58) OPRL1OPRM1KDM4EALDH1A1L3MBTL1
SCHEMBL19075619 0.79 SLC6A2 (0.47) OPRL1OPRM1SLC6A2SLC6A4KDM4E
SCHEMBL4235827 0.78 ALDH1A1 (0.61) KDM4EALDH1A1L3MBTL1TRAP1POLB
SCHEMBL17428664 0.76 DCUN1D1 (0.46) SLC6A2SLC6A4KDM4EALDH1A1TRAP1
SCHEMBL19075615 0.76 CYP2D6 (0.49) OPRL1OPRM1KDM4EALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149002-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-19 US disclosed
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-03-18 US disclosed
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-01-31 US disclosed
US-10005724-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2018-06-26 US 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 (5 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 1229/4885SLC6A2 1205/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 OPRL1 666/4885OPRM1 1229/4885SLC6A2 1205/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 OPRL1 666/4885OPRM1 1229/4885SLC6A2 1205/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 OPRL1 666/4885OPRM1 1229/4885SLC6A2 1205/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 OPRL1 666/4885OPRM1 1229/4885SLC6A2 1205/4885

“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.