SCHEMBL5158683

SCHEMBL5158683

Fc1cccc(OC(CCCl)c2cccc(F)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.58
SLC7A5 Q01650 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
AOC3 Q16853 1/20 0.42
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CNR2 P34972 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL5162023 0.92 SLC6A4 (0.68) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL5162030 0.92 SLC6A4 (0.68) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL14607860 0.92 SLC6A4 (0.68) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL27422903 0.89 SLC6A4 (0.57) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL14415674 0.84 SLC7A5 (0.60) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL5162821 0.84 SLC7A5 (0.60) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL14415675 0.84 SLC7A5 (0.60) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL5160113 0.84 SLC7A5 (0.71) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL5160122 0.84 SLC7A5 (0.71) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6
SCHEMBL14415803 0.84 SLC6A4 (0.65) SLC6A4SLC7A5CYP1A2CYP3A4CYP2D6

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 25 patents — showing the first 20. 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-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-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1790337-A2 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. (US) 2007-05-30 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 EP disclosed
EP-1096926-B1 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMA INC (US) 2007-02-28 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
EP-1096926-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2001-05-09 EP 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
WO-2000002551-A2 METHODS AND COMPOUNDS FOR TREATING DEPRESSION NPS PHARMACEUTICALS, INC. (US) 2000-01-20 WO disclosed
EP-0912494-A1 COUMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998056752-A1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1998-12-17 WO disclosed
CN-1192679-A Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders N P S PHARMACEUTICALS INC (US) 1998-09-09 CN 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-1997046511-A1 COUMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS AND DISEASES NPS PHARMACEUTICALS, INC. (US) 1997-12-11 WO 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 (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-20060142594-A1 Compounds active at a novel site on receptor-operated calcium channels useful for treatment of neurological disorders and diseases NCS1, ATP2A1, CACNA1D SLC6A4 1786/4885SLC7A5 2849/4885CYP1A2 4637/4885
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 SLC6A4 1786/4885SLC7A5 2849/4885CYP1A2 4637/4885

“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.