SCHEMBL5706540

SCHEMBL5706540

C[C@H](O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.72
HTR2B P41595 3/20 0.72
HTR2C P28335 2/20 0.72
SIGMAR1 Q99720 2/20 0.62
ADRA2C P18825 2/20 0.62
SLC6A4 P31645 2/20 0.62
ADRA1A P35348 2/20 0.62
DRD3 P35462 2/20 0.62
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
OPRK1 P41145 1/20 0.62
CYP3A4 P08684 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX1 P07099 4/20 0.52
TAAR1 Q96RJ0 1/20 0.51
ACP3 P15309 1/20 0.51

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
SCHEMBL30412479 1.00 HTR2A (0.72) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL2421761 1.00 HTR2A (0.72) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL5706525 1.00 HTR2A (0.72) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL19040919 0.85 HTR2A (0.71) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL2659237 0.85 HTR2A (0.77) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
Nordexfenfluramine SCHEMBL4668266 0.84 HTR2A (1.00) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
Nordexfenfluramine SCHEMBL44927 0.84 HTR2A (1.00) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
Nordexfenfluramine SCHEMBL895637 0.84 HTR2A (1.00) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
Nordexfenfluramine SCHEMBL30081489 0.84 HTR2A (1.00) HTR2AHTR2BHTR2CSIGMAR1ADRA2C
SCHEMBL18888417 0.84 HTR2A (0.74) HTR2AHTR2BHTR2CSIGMAR1ADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349950-B1 A PROCESS FOR THE PREPARATION OF 1-(3-TRIFLUOROMETHYLPHENYL)-PROPAN-2-OL ENANTIOMERS FIDIA FARMACEUTICI (IT) 2006-11-02 EP claimed
US-6987205-B2 Process for the preparation of 1-(3-trifluoromehylphenyl)-propan-2-ol enantiomers FIDIA FARMACEUTICI S.P.A. (IT) 2006-01-17 US claimed
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
EP-3887481-A1 A METHOD OF TREATING REFRACTORY EPILEPSY SYNDROMES USING FENFLURAMINE ENANTIOMERS Zogenix International Limited (GB) 2021-10-06 EP disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
WO-2020112460-A1 A METHOD OF TREATING REFRACTORY EPILEPSY SYNDROMES USING FENFLURAMINE ENANTIOMERS ZOGENIX INTERNATIONAL LIMITED (GB) 2020-06-04 WO disclosed
EP-1349950-B1 A PROCESS FOR THE PREPARATION OF 1-(3-TRIFLUOROMETHYLPHENYL)-PROPAN-2-OL ENANTIOMERS FIDIA FARMACEUTICI (IT) 2006-11-02 EP disclosed
US-6987205-B2 Process for the preparation of 1-(3-trifluoromehylphenyl)-propan-2-ol enantiomers FIDIA FARMACEUTICI S.P.A. (IT) 2006-01-17 US disclosed
US-20050176119-A1 Process for the preparation of 1-(3-trifluoromehylphenyl) -propan-2-ol enantiomers FIDIA FARMACEUTICI S.P.A. (IT) 2005-08-11 US disclosed
EP-1349950-A1 A PROCESS FOR THE PREPARATION OF 1-(3-TRIFLUOROMETHYLPHENYL)-PROPAN-2-OL ENANTIOMERS Fidia Farmaceutici S.p.A. (IT) 2003-10-08 EP disclosed
WO-2002055724-A1 A PROCESS FOR THE PREPARATION OF 1-(3-TRIFLUOROMETHYLPHENYL)-PROPAN-2-OL ENANTIOMERS FIDIA RESEARCH SUD S.P.A. (IT) 2002-07-18 WO disclosed
EP-0882700-A2 Process for the production of the dexfenfluramine hydrochloride ALFA CHEMICALS ITALIANA S.p.A. (IT) 1998-12-09 EP disclosed
EP-0875498-A2 Process for the production of the isomers (R) and (S)-Alpha-methyl-3-(trifluoromethyl)benzeneethanamine Alfa Chemicals Italiana S.r.l. (IT) 1998-11-04 EP disclosed
US-5808156-A Process for the production of the isomers (R) and (S)-α-methyl-3(trifluoromethyl)benzeneethanamine ALFA CHEMICALS ITALIANA S.P.A. (IT) 1998-09-15 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-20050176119-A1 Process for the preparation of 1-(3-trifluoromehylphenyl) -propan-2-ol enantiomers LPL, PNLIP, LIPE HTR2A 1675/4885HTR2B 2739/4885HTR2C 2424/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 HTR2A 3716/4885HTR2B 3566/4885HTR2C 2712/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 HTR2A 3808/4885HTR2B 3591/4885HTR2C 2830/4885

“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.