SCHEMBL3045859

SCHEMBL3045859

C1=C(c2ccc(Oc3ccccc3)cc2)CCNC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.70
HTR2C P28335 9/20 0.68
QDPR P09417 3/20 0.56
BTK Q06187 1/20 0.54
SCN9A Q15858 1/20 0.47
HTR2A P28223 1/20 0.47
HTR6 P50406 1/20 0.47
NISCH Q9Y2I1 1/20 0.45

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
SCHEMBL3043133 0.85 SCN9A (0.61) SIGMAR1HTR2CQDPRSCN9AHTR2A
SCHEMBL3899585 0.83 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL415545 0.83 SIGMAR1 (1.00) SIGMAR1HTR2CQDPRHTR2AHTR6
Bromide SCHEMBL11385943 0.81 SIGMAR1 (0.96) SIGMAR1HTR2CQDPRHTR2AHTR6
Hydrochloric Acid SCHEMBL446973 0.81 HTR2C (1.00) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL4672600 0.80 PRMT5 (0.64) SIGMAR1HTR2CQDPRHTR6
Hydrochloric Acid SCHEMBL3676212 0.80 SIGMAR1 (0.92) SIGMAR1HTR2CQDPRHTR2AHTR6
SCHEMBL894220 0.79 QDPR (0.60) SIGMAR1HTR2CQDPRHTR6
Hydrochloric Acid SCHEMBL29923085 0.79 PRMT5 (0.62) SIGMAR1HTR2CQDPRHTR6
Hydrochloric Acid SCHEMBL6739875 0.77 HTR2C (0.61) SIGMAR1HTR2CQDPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642262-B2 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2010-01-05 US disclosed
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-05-12 US disclosed
EP-0755923-B1 Ameliorant or remedy for symptoms caused by Ischemic diseases and Phenylpiperidine compounds useful therefor DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
EP-1138678-B1 Process for making N-((4-phenyl) methylphenyl) piperazines DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-12-22 EP disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 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-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-0757986-B1 Arylpiperidine and arylpiperazine derivatives and drugs containing the same SUNTORY LTD (JP) 2002-06-12 EP disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
US-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 US disclosed
US-5631401-A Inhibitors of protein farnesyltransferase and squalene synthase ABBOTT LABORATORIES (US) 1997-05-20 US disclosed
EP-0757986-A1 ARYLPIPERIDINE AND ARYLPIPERAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-12 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
WO-1995021815-A1 CYCLOBUTANE DERIVATIVES AND THEIR USE AS INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND SQUALENE SYNTHASE ABBOTT LABORATORIES (US) 1995-08-17 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 (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-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 SIGMAR1 351/4885HTR2C 1370/4885QDPR 2304/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 SIGMAR1 464/4885HTR2C 1743/4885QDPR 2361/4885

“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.