SCHEMBL3045886

SCHEMBL3045886

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
RORC P51449 4/20 0.47
DRD2 P14416 4/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TACR1 P25103 1/20 0.44
S1PR2 O95136 1/20 0.43
KDM1A O60341 1/20 0.43
CCR1 P32246 1/20 0.43
OPRL1 P41146 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
SCHEMBL3266179 0.93 RORC (0.51) RORCDRD2DRD4DRD3HDAC1
SCHEMBL6160544 0.89 CNR1 (0.47) CNR1CNR2RORCHDAC1HDAC2
SCHEMBL1239091 0.88 RORC (0.48) CNR1CNR2RORCDRD2DRD4
SCHEMBL6159582 0.87 LMNA (0.49) SMN1; SMN2DRD2KDM1AOPRL1
SCHEMBL3042622 0.87 S1PR2 (0.53) RORCHDAC1HDAC2S1PR2
SCHEMBL3545555 0.85 RORC (0.54) RORCDRD2DRD4DRD3HDAC1
SCHEMBL28806298 0.84 DRD2 (0.46) RORCDRD2HDAC1TACR1
SCHEMBL27463367 0.84 RORC (0.45) RORCDRD2DRD4DRD3HDAC1
SCHEMBL6705901 0.82 GPR119 (0.57) DRD2TACR1
SCHEMBL5672765 0.81 KDM1A (0.48) CNR1CNR2RORCHDAC1HDAC2

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 17 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
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
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 WO disclosed
US-5723475-A Arylpiperidine and arylpiperazine derivatives and medicament containing the same SUNTORY LIMITED (JP) 1998-03-03 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

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 CNR1 192/4885CNR2 312/4885SMN1; SMN2 1999/4885
US-20050101610-A1 Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, NR3C2 CNR1 82/4885CNR2 95/4885SMN1; SMN2 2796/4885

“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.