SCHEMBL2564249

SCHEMBL2564249

Fc1ccc(Cc2ccccc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 3/20 0.43
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HTR2A P28223 1/20 0.42
KEAP1 Q14145 1/20 0.42
MAOB P27338 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 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
SCHEMBL5188628 0.88 HTR2A (0.46) TAAR1IDO1ALDH1A1PKMHTR2A
SCHEMBL3306954 0.86 HTR2A (0.56) TAAR1SMN1; SMN2IDO1ALDH1A1HTR2A
SCHEMBL27902405 0.83 KEAP1 (0.64) TAAR1IDO1GAANPSR1L3MBTL1
SCHEMBL9440186 0.83 TAAR1 (0.43) TAAR1IDO1HTR2AKEAP1MAOB
SCHEMBL17644775 0.81 MAOB (0.50) TAAR1SMN1; SMN2IDO1MAOBMAPT
Dimethylamine SCHEMBL27719549 0.80 TAAR1 (0.53) TAAR1SMN1; SMN2L3MBTL1ALDH1A1HTR2A
SCHEMBL19143126 0.80 LTA4H (0.46) TAAR1ALDH1A1PKMKEAP1
SCHEMBL3301625 0.80 TAAR1 (0.59) TAAR1IDO1L3MBTL1ALDH1A1
SCHEMBL14415632 0.79 HTR2A (0.71) TAAR1SMN1; SMN2HTR2AMAOB
SCHEMBL17644776 0.78 SLC5A1 (0.48) SMN1; SMN2L3MBTL1ALDH1A1PKMHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702041-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF Chiesi Farmaceutici S.p.A. (IT) 2014-03-05 EP disclosed
US-8604015-B2 Alkaloid ester and carbamate derivatives and medicinal compositions thereof CHIESI FARMACEUTICI S.P.A. (IT) 2013-12-10 US disclosed
WO-2012146515-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 WO disclosed
US-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHIESI FARMACEUTICI S.P.A. (IT) 2012-11-01 US disclosed
WO-2011126903-A2 MULTISUBSTITUTED AROMATIC COMPOUNDS AS INHIBITORS OF THROMBIN VERSEON, INC. (US) 2011-10-13 WO disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-5256742-A Preparation of poly(arylene sulfide)s from poly(arylene sulfide disulfide) PHILLIPS PETROLEUM COMPANY (US) 1993-10-26 US disclosed
EP-0194984-B1 DERIVATIVES OF IMIDAZOLE, THEIR PREPARATION AND UTILISATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES CONTINENTAL PHARMA, INC. (BE) 1990-04-04 EP disclosed
EP-0044184-A2 Blend of polyarylene sulfide and wholly aromatic polyester CELANESE CORPORATION (US) 1982-01-20 EP disclosed
US-4276397-A IMPROVED PROCESSABILITY TO FORM MOLDED ARTICLES CELANESE CORPORATION (US) 1981-06-30 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 (1 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-20120276018-A1 ALKALOID ESTER AND CARBAMATE DERIVATIVES AND MEDICINAL COMPOSITIONS THEREOF CHRM3, BCHE, CHRM1 TAAR1 977/4885SMN1; SMN2 3411/4885IDO1 1302/4885

“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.