SCHEMBL3889845

SCHEMBL3889845

COc1ccc(Br)cc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.52
PTGER1 P34995 1/20 0.45
KDM4E B2RXH2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42

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
SCHEMBL6498113 0.85 SLC6A4 (0.49) SLC6A4PTGER1KDM4ETDP1PPARD
SCHEMBL3890253 0.83 MEN1 (0.51) KDM4ETDP1GAAMEN1USP2
SCHEMBL24750221 0.82 GAA (0.46) PPARDPPARAGAAMAPTHTT
SCHEMBL3892695 0.81 TDP1 (0.48) KDM4ETDP1GAAMEN1USP2
SCHEMBL2576249 0.81 KDM4E (0.48) KDM4ETDP1GAAMEN1USP2
SCHEMBL3890669 0.80 CCR5 (0.54) KDM4ETDP1GAAMEN1USP2
SCHEMBL3891823 0.80 LMNA (0.55) KDM4ETDP1GAAMEN1USP2
SCHEMBL3903635 0.79 CA2 (0.49) KDM4EPPARAGAAMEN1ALDH1A1
SCHEMBL12782154 0.77 SLC6A4 (0.41) SLC6A4TDP1GAAMEN1MAPT
SCHEMBL7468867 0.77 LDHA (0.43) SLC6A4PTGER1THRB

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 10 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

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 SLC6A4 1503/4885PTGER1 42/4885KDM4E 482/4885
US-20040186138-A1 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same KCNH1, KCNH2, NPY1R SLC6A4 1503/4885PTGER1 42/4885KDM4E 482/4885

“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.