SCHEMBL6000918

SCHEMBL6000918

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.60
HRH1 P35367 1/20 0.53
IDO1 P14902 1/20 0.53
TDO2 P48775 1/20 0.53
TAAR1 Q96RJ0 1/20 0.51
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KCNK2 O95069 1/20 0.49
KCNH2 Q12809 1/20 0.49
CACNA1C Q13936 1/20 0.49
ACP3 P15309 2/20 0.47
KIF11 P52732 1/20 0.47
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
CES2 O00748 1/20 0.44
MAOB P27338 1/20 0.44

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
SCHEMBL9210534 0.86 PNMT (0.60) PNMTIDO1TDO2TAAR1SLC6A2
SCHEMBL4612931 0.83 SLC6A4 (0.50) PNMTHRH1IDO1TDO2TAAR1
SCHEMBL7289657 0.83 PNMT (0.50) PNMTHRH1IDO1TDO2SLC6A2
SCHEMBL27762532 0.81 PNMT (0.58) PNMTIDO1TDO2TAAR1ACP3
SCHEMBL5161949 0.80 HRH1 (0.67) HRH1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14216834 0.79 PNMT (0.43) PNMTIDO1TDO2TAAR1SLC6A2
Hydrochloric Acid SCHEMBL4433367 0.79 HRH1 (0.64) HRH1IDO1TDO2SLC6A2SLC6A4
SCHEMBL3914167 0.78 PNMT (0.59) PNMTIDO1TDO2TAAR1SLC6A2
SCHEMBL19593126 0.78 PNMT (0.54) PNMTIDO1TDO2SLC6A2SLC6A4
SCHEMBL11081904 0.78 PNMT (0.69) PNMTIDO1TDO2TAAR1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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 (3 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-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 PNMT 2781/4885HRH1 163/4885IDO1 2721/4885
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 PNMT 2781/4885HRH1 163/4885IDO1 2721/4885
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 PNMT 2014/4885HRH1 403/4885IDO1 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.