SCHEMBL6001243

SCHEMBL6001243

CC(N)CC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
AOC3 Q16853 1/20 0.44
GBA1 P04062 1/20 0.43
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 2/20 0.42
CYP19A1 P11511 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CYP2A6 P11509 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL14415587 1.00 IDO1 (0.46) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL14415589 1.00 IDO1 (0.46) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL6348596 0.89 SLC6A2 (0.41) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL11996603 0.85 IDO1 (0.44) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL14607623 0.82 IDO1 (0.44) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL6001109 0.82 IDO1 (0.44) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL14415598 0.79 CACNA1F (0.42) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL14420473 0.79 HDAC4 (0.44) IDO1TDO2AOC3GBA1SLC6A2
SCHEMBL146546 0.78 IDO1 (0.48) IDO1TDO2AOC3SLC6A2SLC6A4
SCHEMBL800515 0.78 IDO1 (0.48) IDO1TDO2AOC3SLC6A2SLC6A4

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 7 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-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 (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 IDO1 3661/4885TDO2 3085/4885AOC3 2484/4885

“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.