SCHEMBL17680962

SCHEMBL17680962

CC1CCNc2cc(C(F)F)c(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
PGR P06401 1/20 0.40
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
HTR2B P41595 3/20 0.31

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
SCHEMBL30480837 0.74 HTR2C (0.51) ARPGRHTR2AHTR2CHTR2B
SCHEMBL17673238 0.72 AR (0.39) ARPGR
SCHEMBL17680973 0.72 CREBBP (0.41)
SCHEMBL31511252 0.69 HTR2B (0.46) ARPGRHTR2AHTR2CHTR2B
SCHEMBL22050032 0.69 HTR2B (0.46) ARPGRHTR2AHTR2CHTR2B
SCHEMBL17785705 0.69 ALDH1A1 (0.49) ARHTR2AHTR2CHTR2B
SCHEMBL17785801 0.69 HTR2B (0.46) ARPGRHTR2AHTR2CHTR2B
SCHEMBL20571939 0.69 HTR2B (0.46) ARPGRHTR2AHTR2CHTR2B
SCHEMBL31000351 0.69 HTR2B (0.46) ARPGRHTR2AHTR2CHTR2B
SCHEMBL10840667 0.68 AR (0.43) ARPGRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107108512-B Therapeutic compounds and uses thereof 基因泰克公司 2021-05-04 CN disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
EP-3204360-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2020-08-26 EP disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
WO-2016055028-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-04-14 WO 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 (2 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-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 AR 1295/4885PGR 2892/4885HTR2A 4312/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 AR 1295/4885PGR 2892/4885HTR2A 4312/4885

“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.