SCHEMBL3891013

SCHEMBL3891013

Fc1ccc(Cc2ccccc2Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.45
LOXL2 Q9Y4K0 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.40
EGFR P00533 2/20 0.40
ERBB2 P04626 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTR2A P28223 1/20 0.39
KEAP1 Q14145 1/20 0.39

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 0.84 HTR2A (0.46) TAAR1IDO1LOXL2ALDH1A1PKM
SCHEMBL423302 0.82 HTR2A (0.56) TAAR1IDO1HTR2A
Benzene SCHEMBL28195073 0.82 HTR2A (0.56) TAAR1IDO1HTR2A
SCHEMBL4853233 0.80 HTR2A (0.54) TAAR1IDO1HTR2A
Fluoride SCHEMBL27939369 0.80 HTR2A (0.54) TAAR1IDO1HTR2A
SCHEMBL3902134 0.79 HPGD (0.47) TAAR1IDO1CA12CA1CA2
SCHEMBL10766032 0.79 TAAR1 (0.47) TAAR1IDO1ALDH1A1CA12CA1
SCHEMBL30117340 0.79 KEAP1 (0.64) TAAR1IDO1EGFRERBB2CA12
SCHEMBL5156201 0.79 SLC5A1 (0.41) TAAR1IDO1LOXL2ALDH1A1PKM
SCHEMBL16153738 0.79 TAAR1 (0.47) TAAR1IDO1ALDH1A1CA12CA1

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-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
EP-0867183-B1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-10-06 EP disclosed
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. 2004-09-23 US disclosed
US-6706734-B2 ANTIISCHEMIC AGENTS; ANTICONVULSANTS; HEADACHES DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-07-10 US disclosed
US-6469010-B1 COMPOSITION ALSO FOR ALLEVIATION OR TREATMENT OF SYMPTOMS DERIVED FROM SEIZURES, EPILEPSY AND MIGRAINE HEADACHES, AND SUPPRESSION OF CALCIUM ION OVERLOAD SUNTORY LIMITED (JP) 2002-10-22 US disclosed
US-6455549-B1 ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIMIGRAINE AGENTS; CALCIUM OVELOAD SUPPRESSANTS SUNTORY LIMITED (JP) 2002-09-24 US disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
EP-0867183-A1 ARYLPIPERIDINOL AND ARYLPIPERIDINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1998-09-30 EP disclosed
EP-0755923-A1 AMELIORANT OR REMEDY FOR SYMPTOMS CAUSED BY ISCHEMIC DISEASES AND COMPOUNDS USEFUL THEREFOR SUNTORY LIMITED (JP) 1997-01-29 EP disclosed
US-4414219-A ANTICONVULSANTS, TRANQUILIZERS, ANALGESTICS AMERICAN HOECHST CORPORATION (US) 1983-11-08 US disclosed
US-4311703-A PYRROLIDINE AND PIPERIDINE DERIVATIVES AMERICAN HOECHST CORPORATION (US) 1982-01-19 US disclosed
US-4241071-A Antidepressant (α-phenyl-2-tolyl)azacycloalkanes AMERICAN HOECHST CORPORATION (US) 1980-12-23 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 (2 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-20030130312-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R TAAR1 531/4885IDO1 171/4885LOXL2 977/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R TAAR1 531/4885IDO1 171/4885LOXL2 977/4885

“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.