SCHEMBL1649435

SCHEMBL1649435

C[C@@H](Br)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.40
IDO1 P14902 3/20 0.39
TDO2 P48775 1/20 0.39
CES2 O00748 1/20 0.38
TACR3 P29371 1/20 0.36
MAPT P10636 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PDE2A O00408 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
P2RX7 Q99572 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
SCHEMBL8700783 1.00 TACR1 (0.40) TACR1IDO1TDO2CES2TACR3
SCHEMBL264836 1.00 TACR1 (0.40) TACR1IDO1TDO2CES2TACR3
SCHEMBL15161876 0.90 PDE2A (0.40) TACR1IDO1TDO2CES2TACR3
SCHEMBL271091 0.87 RAPGEF4 (0.38) TACR1IDO1TDO2TACR3MAPT
SCHEMBL31749745 0.87 TACR1 (0.33) TACR1IDO1TDO2PDE2A
SCHEMBL3588498 0.87 NOTUM (0.42) TACR1IDO1TDO2TACR3PDE2A
SCHEMBL1295467 0.87 TACR1 (0.33) TACR1IDO1TDO2PDE2A
SCHEMBL3584929 0.87 NOTUM (0.42) TACR1IDO1TDO2TACR3PDE2A
SCHEMBL15216806 0.87 RAPGEF4 (0.38) TACR1IDO1TDO2TACR3MAPT
SCHEMBL27906515 0.86 RAPGEF4 (0.39) TACR1IDO1TDO2RAPGEF4ALDH1A1

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US claimed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US claimed
EP-2597079-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE Kowa Company Ltd. (JP) 2013-05-29 EP claimed
EP-2578574-B1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME KOWA CO (JP) 2016-04-27 EP disclosed
EP-2578574-B1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME KOWA CO (JP) 2016-04-27 EP disclosed
US-9272966-B2 Method for preparing optically active 1-bromo-1[3,5-bis(trifluoromethyl)phenyl]ethane KOWA COMPANY, LTD. (JP) 2016-03-01 US disclosed
US-20150320748-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-11-12 US disclosed
US-20150320748-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-11-12 US disclosed
US-20150306098-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-10-29 US disclosed
US-20150306098-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA KOWA CO., LTD. (JP) 2015-10-29 US disclosed
US-8906895-B2 Optically active dibenzylamine derivative, and method for preparing thereof KOWA COMPANY, LTD. (JP) 2014-12-09 US disclosed
EP-2626351-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA Kowa Co., Ltd. (JP) 2013-08-14 EP disclosed
US-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE KOWA COMPANY, LTD. (JP) 2013-07-25 US disclosed
WO-2013080999-A1 AGENT FOR INHIBITING EXPRESSION OF NPC1L1 AND/OR LIPG MRNA AND AGENT FOR PREVENTING AND/OR TREATING OBESITY 興和株式会社 (JP) 2013-06-06 WO disclosed
WO-2013081087-A1 METHOD FOR PREPARING OPTICALLY ACTIVE COMPOUND 興和株式会社 (JP) 2013-06-06 WO disclosed
EP-2597079-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE Kowa Company Ltd. (JP) 2013-05-29 EP disclosed
EP-2578574-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME Kowa Company, Ltd. (JP) 2013-04-10 EP disclosed
EP-2578574-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME Kowa Company, Ltd. (JP) 2013-04-10 EP disclosed
WO-2012046681-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA 興和株式会社 (JP) 2012-04-12 WO disclosed
WO-2011152508-A1 OPTICALLY ACTIVE DIBENZYLAMINE DERIVATIVE, AND MANUFACTURING METHOD FOR SAME 興和株式会社 (JP) 2011-12-08 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-20130190540-A1 METHOD FOR PREPARING OPTICALLY ACTIVE 1-BROMO-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]ETHANE RPP30, BRPF1, ALK TACR1 747/4885IDO1 4293/4885TDO2 3103/4885
US-20150320748-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA SREBF1, SCD, SREBF2 TACR1 1795/4885IDO1 2359/4885TDO2 4681/4885
US-20150306098-A1 AGENT FOR INHIBITING EXPRESSION OF LIPID METABOLISM RELATED MRNA SREBF1, SCD, SREBF2 TACR1 1795/4885IDO1 2359/4885TDO2 4681/4885

“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.