SCHEMBL2693449

SCHEMBL2693449

Cc1c(F)ccc(C#N)c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.47
TRPV4 Q9HBA0 2/20 0.43
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
TSHR P16473 1/20 0.39
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LRRK2 Q5S007 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
SCHEMBL1585098 0.84 AR (0.52) ARTRPV4TSHR
SCHEMBL6364089 0.84 TRPV4 (0.42) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL223893 0.84 AR (0.42) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL16122042 0.82 TRPV4 (0.41) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL24495511 0.80 AR (0.45) ARTRPV4CYP11B1CYP11B2ESR1
SCHEMBL31156144 0.80 AR (0.40) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL20954185 0.80 TRPV4 (0.39) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL220882 0.80 AR (0.53) ARTRPV4CYP11B1CYP11B2
SCHEMBL31673035 0.80 ESR1 (0.41) ARTRPV4CYP11B1CYP11B2TSHR
SCHEMBL28208474 0.80 AR (0.43) ARTRPV4CYP11B1CYP11B2TSHR

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-107667090-A PESTICIDALLY ACTIVE OXIME AND HYDRAZONE DERIVATIVES 先正达参股股份有限公司 2018-02-06 CN disclosed
US-9273045-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-03-01 US disclosed
EP-2452940-B1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2014-12-17 EP disclosed
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-09 US disclosed
US-8779142-B2 Azabicyclo compound and salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-15 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 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 (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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R AR 1/4885TRPV4 3628/4885CYP11B1 39/4885
US-20140303162-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 AR 1494/4885TRPV4 2393/4885CYP11B1 334/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 AR 1494/4885TRPV4 2393/4885CYP11B1 334/4885

“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.