SCHEMBL5947784

SCHEMBL5947784

NCCC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.59
CYP19A1 P11511 1/20 0.50
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
HTR2A P28223 1/20 0.45
SLC7A5 Q01650 1/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
AOC3 Q16853 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CNR2 P34972 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
SCHEMBL5999535 0.96 HRH1 (0.67) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL6001473 0.94 HRH1 (0.53) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL14415615 0.90 HRH1 (0.48) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL5999422 0.90 HRH1 (0.48) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL6000683 0.90 ACHE (0.50) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL6000609 0.89 HRH1 (0.62) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL5999516 0.88 HRH1 (0.52) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL14415600 0.88 HRH1 (0.52) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL14415665 0.87 HRH1 (0.46) HRH1CYP19A1IDO1TDO2TAAR1
SCHEMBL6001218 0.86 HRH1 (0.48) HRH1CYP19A1IDO1TDO2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 EP claimed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
US-7268166-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-09-11 US disclosed
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
EP-1749522-A2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-02-07 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
US-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases MUELLER ALAN L 2006-06-29 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6051610-A COMPOUNDS USEFUL AS NEUROPROTECTANTS, ANTICONVULSANTS, ANXIOLYTICS, ANALGESICS, MUSCLE RELAXANTS OR ADJUVANTS TO GENERAL ANESTHETICS NPS PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6017965-A TREATING STROKE, HEAD TRAUMA, SPINAL CORD INJURY, SPINAL CORD ISCHEMIA, ISCHEMIA- OR HYPOXIA-INDUCED NERVE CELL DAMAGE, EPILEPSY, ANXIETY, NEUROPSYCHIATRIC OR COGNITIVE DEFICITS DUE TO ISCHEMIA OR HYPOXIA NPS PHARMACEUTICALS, INC. (US) 2000-01-25 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D HRH1 403/4885CYP19A1 4542/4885IDO1 3661/4885
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 HRH1 204/4885CYP19A1 706/4885IDO1 2671/4885

“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.