SCHEMBL19075615

SCHEMBL19075615

CC(C)C1(F)CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.49
CYP3A4 P08684 6/20 0.49
USP2 O75604 4/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
OPRL1 P41146 4/20 0.46
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.44
FAAH O00519 1/20 0.43
KCNH2 Q12809 1/20 0.42
OPRM1 P35372 1/20 0.42
HPGD P15428 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C9 P11712 1/20 0.41
HIF1A Q16665 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL19083685 0.85 CYP2D6 (0.52) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19084132 0.84 CYP2D6 (0.51) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL23118445 0.83 CYP2D6 (0.50) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL21075596 0.78 KCNH2 (0.42) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19075617 0.78 SCN9A (0.45) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19083729 0.76 OPRL1 (0.46) OPRL1ALDH1A1KCNH2OPRM1KDM4E
SCHEMBL19075631 0.76 FAAH (0.45) CYP2D6OPRL1ALDH1A1FAAHKCNH2
SCHEMBL19083894 0.76 ACHE (0.50) CYP2D6CYP3A4USP2CYP2C19CYP1A2
SCHEMBL19075557 0.75 ALDH1A1 (0.44) OPRL1ALDH1A1KDM4E
SCHEMBL19075613 0.74 MGAT2 (0.45) CYP2D6CYP3A4USP2CYP2C19CYP1A2

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 CYP2D6 189/4885CYP3A4 594/4885USP2 4357/4885
US-11149002-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 CYP2D6 189/4885CYP3A4 594/4885USP2 4357/4885
US-20190031607-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CYP2D6 189/4885CYP3A4 594/4885USP2 4357/4885
US-10005724-B2 Therapeutic compounds and methods of use thereof RDX, C1R, MTX1 CYP2D6 189/4885CYP3A4 594/4885USP2 4357/4885
US-20210078947-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF RDX, C1R, MTX1 CYP2D6 189/4885CYP3A4 594/4885USP2 4357/4885

“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.