SCHEMBL6000664

SCHEMBL6000664

NCC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
HTR2A P28223 2/20 0.56
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
CYP19A1 P11511 1/20 0.45
AOC3 Q16853 1/20 0.45
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CNR2 P34972 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
SCHEMBL3903476 0.96 HTR2A (0.64) TAAR1HTR2AIDO1TDO2SLC6A2
SCHEMBL3401636 0.88 HTR2A (0.48) TAAR1HTR2AIDO1TDO2SLC6A2
SCHEMBL3914167 0.86 PNMT (0.59) TAAR1HTR2AIDO1TDO2SLC6A2
SCHEMBL5947784 0.83 HRH1 (0.59) TAAR1HTR2AIDO1TDO2SLC6A2
SCHEMBL11077274 0.83 IDO1 (0.52) TAAR1IDO1TDO2SLC6A2SLC6A4
Ethylamine SCHEMBL6001271 0.82 IDO1 (0.47) TAAR1IDO1TDO2SLC6A2SLC6A4
SCHEMBL8070494 0.81 HTR2A (0.42) TAAR1HTR2AIDO1TDO2SLC6A2
SCHEMBL3043788 0.81 IDO1 (0.46) TAAR1IDO1TDO2SLC6A2SLC6A4
SCHEMBL8244458 0.81 IDO1 (0.46) TAAR1IDO1TDO2SLC6A2SLC6A4
SCHEMBL9902786 0.81 IDO1 (0.46) TAAR1IDO1TDO2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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 (1 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 TAAR1 1698/4885HTR2A 390/4885IDO1 3661/4885

“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.