SCHEMBL9925511

SCHEMBL9925511

CCc1ccc(C(F)(F)F)nn1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
PDE4B Q07343 1/20 0.34
KCNK13 Q9HB14 1/20 0.32
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL21018568 0.80 GABRA2 (0.38) TRPV4
SCHEMBL45880 0.80
SCHEMBL24468445 0.79 P2RX3 (0.32)
SCHEMBL30612260 0.78 TRPV4 (0.39) TRPV4KCNK13
SCHEMBL335563 0.78 TRPV4 (0.39) TRPV4KCNK13
SCHEMBL27813564 0.78 TRPV4 (0.34) TRPV4KCNK13
SCHEMBL31613901 0.78 NOTUM (0.39) TRPV4KCNK13
SCHEMBL30721121 0.78 TRPV4 (0.34) TRPV4KCNK13
SCHEMBL14448163 0.78 TRPV4 (0.34) TRPV4KCNK13
SCHEMBL7999604 0.78 TRPV4 (0.34) TRPV4KCNK13

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
US-20210395243-A1 PESTICIDAL COMPOUNDS BASF SE (DE) 2021-12-23 US disclosed
CN-106661023-B Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2019-05-28 CN disclosed
CN-106661023-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2017-05-10 CN disclosed
US-20120149674-A1 Diaryl Substituted Alkanes MERCK SHARPE & DOHME CORP. (US) 2012-06-14 US disclosed
US-8124628-B2 Diaryl substituted alkanes MERCK SHARP & DOHME CORP. (US) 2012-02-28 US disclosed
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 US disclosed
US-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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 (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-20100168076-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B TRPV4 778/4885PDE4B 766/4885KCNK13 3546/4885
US-20210395243-A1 PESTICIDAL COMPOUNDS NIT2, PNMT, DDT TRPV4 915/4885PDE4B 791/4885KCNK13 2333/4885
US-20120149674-A1 Diaryl Substituted Alkanes ALOX5, ALOX15, LTB4R2 TRPV4 1060/4885PDE4B 795/4885KCNK13 3350/4885
US-20090258851-A1 DIARYL SUBSTITUTED ALKANES ALOX5, ALOX15, LTB4R2 TRPV4 1060/4885PDE4B 795/4885KCNK13 3350/4885
US-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B TRPV4 1080/4885PDE4B 788/4885KCNK13 3699/4885

“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.