SCHEMBL6001284

SCHEMBL6001284

CN(C)CCC(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.63
HRH1 P35367 2/20 0.63
TAAR1 Q96RJ0 1/20 0.51
CYP19A1 P11511 1/20 0.47
AOC3 Q16853 1/20 0.46
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
CHRM2 P08172 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL14415778 0.86 HTR2A (0.46) HTR2AHRH1TAAR1CYP19A1AOC3
SCHEMBL16884469 0.85 HTR2A (0.44) HTR2AHRH1TAAR1CYP19A1AOC3
SCHEMBL19742792 0.83 TAAR1 (0.49) HTR2AHRH1TAAR1AOC3SLC6A2
SCHEMBL20014652 0.81 HTR2A (0.61) HTR2AHRH1TAAR1CYP19A1AOC3
SCHEMBL14415617 0.81 MEN1 (0.49) HTR2AHRH1TAAR1SLC6A2SLC6A4
SCHEMBL9857304 0.80 TAAR1 (0.50) HTR2AHRH1TAAR1AOC3SLC6A2
SCHEMBL22048343 0.79 IDO1 (0.47) TAAR1CYP19A1AOC3SLC6A2SLC6A4
SCHEMBL1802493 0.78 HRH1 (1.00) HTR2AHRH1SLC6A2SLC6A4CHRM2
Ammonia Solution, Strong SCHEMBL6000616 0.78 CYP19A1 (0.49) CYP19A1AOC3SLC6A2SLC6A4MEN1
Ammonia Solution, Strong SCHEMBL6001307 0.77 IDO1 (0.46) TAAR1CYP19A1AOC3SLC6A2SLC6A4

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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF BISCAYNE NEUROTHERAPEUTICS, INC. 2015-07-09 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-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 (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-20150191430-A1 CONJUGATES OF HUPERZINE AND ANALOGS THEREOF HTT, HNMT, GAP43 HTR2A 241/4885HRH1 79/4885TAAR1 1567/4885
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 HTR2A 390/4885HRH1 403/4885TAAR1 1698/4885

“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.