SCHEMBL5150149

SCHEMBL5150149

CC(C#N)C(c1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.41
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ACHE P22303 1/20 0.38
MTOR P42345 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL14415707 1.00 AOC3 (0.41) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL14415710 1.00 AOC3 (0.41) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL31377021 0.81 HDAC4 (0.41) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL2339913 0.81 HDAC4 (0.41) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL3556521 0.79 HDAC4 (0.42) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL10442326 0.78 AOC3 (0.46) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL8657495 0.76 HDAC4 (0.43) AOC3HDAC4HDAC7HDAC5IDO1
Ammonia Solution, Strong SCHEMBL6001272 0.76 AOC3 (0.45) AOC3HDAC4HDAC7HDAC5IDO1
SCHEMBL27168775 0.76 TRPA1 (0.48) KDM4E
SCHEMBL16570971 0.75 CES2 (0.49) AOC3HDAC4HDAC7HDAC5IDO1

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 16 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
EP-1749522-A2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2007-02-07 EP disclosed
US-7087765-B2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2006-08-08 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-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. 2004-09-02 US disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 US disclosed
US-6306912-B1 POLYAMINO CARBONYLAMINO ALKYL FLUORO SUBSTITUTES INDOLE COMPOUNDS NPS PHARMACEUTICALS, INC. 2001-10-23 US disclosed
EP-1123922-A2 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NPS PHARMACEUTICALS, INC. (US) 2001-08-16 EP disclosed
EP-0743853-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMA INC (US) 2001-05-02 EP disclosed
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6071970-A FOR TREATING PATIENTS HAVING NEUROLOGICAL DISEASE OR DISORDER, SUCH AS STROKE, HEAD TRAUMA, SPINAL CORD INJURY, EPILEPSY, ANXIETY, OR NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, HUNTINGTON'S DISEASE, PARKINSON'S DISEASE NPS PHARMACEUTICALS, INC. (US) 2000-06-06 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
EP-0831799-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMACEUTICALS, INC. (US) 1998-04-01 EP disclosed
WO-1996040097-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMACEUTICALS, INC. (US) 1996-12-19 WO 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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D AOC3 2484/4885HDAC4 975/4885HDAC7 1261/4885
US-20040171670-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D AOC3 2484/4885HDAC4 975/4885HDAC7 1261/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB AOC3 2232/4885HDAC4 353/4885HDAC7 764/4885

“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.