SCHEMBL6000867

SCHEMBL6000867

Cc1ccccc1C(CCN)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.44
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
IDO1 P14902 2/20 0.42
TDO2 P48775 2/20 0.42
CYP19A1 P11511 2/20 0.39
AOC3 Q16853 1/20 0.38
SLC7A5 Q01650 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ACHE P22303 1/20 0.36
CNR2 P34972 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL5999545 0.88 HRH1 (0.41) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL6001218 0.86 HRH1 (0.48) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL6001274 0.85 HRH1 (0.41) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL14310625 0.84 HRH1 (0.63) HRH1SLC6A4SLC6A2CYP19A1TAAR1
Ammonia Solution, Strong SCHEMBL6000870 0.83 IDO1 (0.41) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL5999514 0.83 IDO1 (0.43) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL5999535 0.82 HRH1 (0.67) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL6000541 0.82 HRH1 (0.44) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL5947784 0.82 HRH1 (0.59) HRH1SLC6A4SLC6A2IDO1TDO2
SCHEMBL6000683 0.80 ACHE (0.50) HRH1SLC6A4SLC6A2IDO1TDO2

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 HRH1 403/4885SLC6A4 1786/4885SLC6A2 1739/4885

“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.