SCHEMBL6282853

SCHEMBL6282853

FC(Cl)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC18A2 Q05940 1/20 0.43
ANPEP P15144 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALPI P09923 1/20 0.41
PKM P14618 1/20 0.41
PTGS1 P23219 1/20 0.41
XIAP P98170 1/20 0.41
SLC7A5 Q01650 1/20 0.41
TRPA1 O75762 1/20 0.41

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
SCHEMBL30657566 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL184702 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL252017 0.78 EPHX1 (0.55) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1278885 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL219294 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL564024 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5146904 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL707068 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL5609928 0.74 EPHX1 (0.50) EPHX1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL66064 0.74 SIGMAR1 (0.58) EPHX1TAAR1SLC6A2SIGMAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852723-B2 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. (US) 2005-02-08 US disclosed
EP-1463697-A2 SYNTHESIS OF ALFA,BETA,BETA-TRIFLUOROSTYRENE VIA IN-SITU FORMATION OF TRIFLUOROVINYL METAL HALIDE BALLARD POWER SYSTEMS INC. (CA) 2004-10-06 EP disclosed
US-6737434-B2 HAVING ACTIVITIES ANALOGOUS TO THOSE EXHIBITED BY GRANULOCYTE-COLONY STIMULATING FACTOR; FOR THERAPY OF IMMUNE DISEASES WHICH ACCOMPANY REDUCTION IN NEUTROPHILS CAUSED BY CHEMOTHERAPY OR RADIOTHERAPY OF CANCER SSP CO., LTD. (JP) 2004-05-18 US disclosed
US-6653515-B2 One pot process comprising reacting tetrafluoroethylene with bases, metal halides and optionally amines to form trifluorovinyl metal complexes, then arylating in the presence of catalysts to form trifluorophenylethylene BALLARD POWER SYSTEMS INC. (CA) 2003-11-25 US disclosed
US-20030176482-A1 Imidazole derivatives or their salts HISAMITSU PHARMACEUTICAL CO., INC. (JP) 2003-09-18 US disclosed
US-20030176440-A1 Aralkyl substituted piperazine compounds CV THERAPEUTICS, INC. 2003-09-18 US disclosed
US-20030144439-A1 Synthesis of alpha, beta, beta-trifluorostyrene via in-situ formation of trifluorovinyl metal halide BALLARD POWER SYSTEMS INC. (CA) 2003-07-31 US disclosed
WO-2003051801-A2 SYNTHESIS OF ALPHA, BETA, BETA-TRIFLUOROSTYRENE VIA IN-SITU FORMATION OF TRIFLUOROVINYL METAL HALIDE BALLARD POWER SYSTEMS INC. (CA) 2003-06-26 WO disclosed
EP-1319658-A1 IMIDAZOLE DERIVATIVES OR THEIR SALTS SSP Co., Ltd. (JP) 2003-06-18 EP disclosed
US-6552023-B2 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2003-04-22 US disclosed
EP-1259493-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2002-11-27 EP disclosed
US-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life CV THERAPEUTICS, INC. 2001-11-15 US disclosed
WO-2001062744-A2 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 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 (4 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-20010041704-A1 N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-4-phenylbutyl) -piperazinyl)acetamide, for example; useful to protect skeletal muscles against damage from trauma or disease, treat shock, preserve donor tissue or organs; greater half-life TNNC1, ATP2A1, ATP2A2 EPHX1 2631/4885TAAR1 4462/4885SLC6A2 1864/4885
US-20030176482-A1 Imidazole derivatives or their salts CSF3R, CSF1R, FLT3 EPHX1 3831/4885TAAR1 1392/4885SLC6A2 4476/4885
US-20030144439-A1 Synthesis of alpha, beta, beta-trifluorostyrene via in-situ formation of trifluorovinyl metal halide SLC6A12, SLC30A7, SLC39A11 EPHX1 3459/4885TAAR1 239/4885SLC6A2 968/4885
US-20030176440-A1 Aralkyl substituted piperazine compounds ATP2A1, ATP2A3, ATP2A2 EPHX1 1970/4885TAAR1 4289/4885SLC6A2 4208/4885

“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.