SCHEMBL2843365

SCHEMBL2843365

[CH2]c1ccc(-c2ncccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.43
GABRG2 P18507 7/20 0.41
GABRB3 P28472 7/20 0.41
GABRA5 P31644 7/20 0.41
GABRA3 P34903 7/20 0.41
GABRA1 P14867 6/20 0.41
MAPK14 Q16539 1/20 0.39
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 2/20 0.35
FEN1 P39748 1/20 0.35
DHODH Q02127 2/20 0.33
TDP2 O95551 1/20 0.33
NSD2 O96028 1/20 0.33
ABL1 P00519 1/20 0.33
PLCG1 P19174 1/20 0.33
CES1 P23141 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL30211300 0.83 MAPK14 (0.53) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30007391 0.83 MAPK14 (0.53) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2639667 0.81 FEN1 (0.43) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29604199 0.81 FEN1 (0.43) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30211282 0.80 SLC2A1 (0.48) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28479998 0.80 TRPV1 (0.47) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL411041 0.80 SLC2A1 (0.48) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31306178 0.80 TRPV1 (0.43) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4139478 0.80 SYK (0.47) TRPV1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31517665 0.79 MAPK14 (0.53) TRPV1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240490-B1 ORGANIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-09-04 EP claimed
US-9403836-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-08-02 US disclosed
EP-2939676-A1 Organic compounds Intra-Cellular Therapies, Inc. (US) 2015-11-04 EP disclosed
US-20140357606-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2014-12-04 US disclosed
US-8829008-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-09 US disclosed
EP-2698160-A2 Organic compounds Takeda Pharmaceutical Company Limited (JP) 2014-02-19 EP disclosed
EP-2240490-B1 ORGANIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2013-09-04 EP disclosed
US-8273751-B2 Organic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-09-25 US disclosed
US-20120238589-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2012-09-20 US disclosed
US-20100273754-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. 2010-10-28 US disclosed
EP-2240490-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2010-10-20 EP disclosed
WO-2009075784-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2009-06-18 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 (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-20100273754-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 TRPV1 908/4885GABRG2 998/4885GABRB3 1052/4885
US-20140357606-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 TRPV1 908/4885GABRG2 998/4885GABRB3 1052/4885
US-20120238589-A1 ORGANIC COMPOUNDS CYP2C9, CYP2C19, CYP3A7 TRPV1 908/4885GABRG2 998/4885GABRB3 1052/4885

“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.