SCHEMBL20449113

SCHEMBL20449113

O=C(O)N1CCC(CF)CC1c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
TRPA1 O75762 1/20 0.39
DRD2 P14416 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
SLC18A3 Q16572 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM1A O60341 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4004495 0.89 CYP3A4 (0.41) SIGMAR1TRPA1DRD2HTR2AHTR2C
SCHEMBL20528500 0.85 SIGMAR1 (0.38) SIGMAR1TRPA1DRD2HTR2AHTR2C
SCHEMBL2706713 0.85 USP30 (0.40) KDM1AHDAC6
SCHEMBL6126585 0.85 USP30 (0.40) KDM1AHDAC6
SCHEMBL1243016 0.84 MAOB (0.37) SIGMAR1TRPA1DRD2HTR2AHTR2C
SCHEMBL4780061 0.82 RIPK1 (0.40) SIGMAR1TRPA1SLC18A3CCNCCDK8
SCHEMBL2705801 0.81 CCNC (0.39) SIGMAR1TRPA1SLC18A3CCNCCDK8
SCHEMBL20449222 0.81 SIGMAR1 (0.46) SIGMAR1
SCHEMBL20449370 0.81 SIGMAR1 (0.46) SIGMAR1
SCHEMBL20449369 0.81 SIGMAR1 (0.46) SIGMAR1

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
CN-108290881-B Therapeutic compounds and methods of use thereof 健泰科生物技术公司 2021-12-07 CN disclosed
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US disclosed
US-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-11 US disclosed
EP-3356360-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Genentech, Inc. (US) 2018-08-08 EP 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-20180291014-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SIGMAR1 1061/4885TRPA1 2785/4885DRD2 1136/4885
US-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB SIGMAR1 1061/4885TRPA1 2785/4885DRD2 1136/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB SIGMAR1 1061/4885TRPA1 2785/4885DRD2 1136/4885

“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.