SCHEMBL5161065

SCHEMBL5161065

NCCC(Oc1cccc(F)c1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.68
SLC6A2 P23975 3/20 0.57
SLC6A3 Q01959 2/20 0.57
KCNK2 O95069 1/20 0.57
KCNH2 Q12809 1/20 0.57
CACNA1C Q13936 1/20 0.57
SLC7A5 Q01650 9/20 0.52
CYP2D6 P10635 1/20 0.48
NOS2 P35228 1/20 0.48

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
SCHEMBL5161046 1.00 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415671 1.00 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Oxalic Acid SCHEMBL7317056 0.94 SLC6A4 (0.62) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415675 0.92 SLC7A5 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5162821 0.92 SLC7A5 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415674 0.92 SLC7A5 (0.60) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415623 0.91 SLC7A5 (0.62) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL14415643 0.86 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5162023 0.85 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNH2SLC7A5
SCHEMBL14607860 0.85 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3KCNH2SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP claimed
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-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20040039014-A1 Methods and compounds for treating depression and other disorders NPS PHARMACEUTICALS, INC. 2004-02-26 US disclosed
EP-0831799-B1 COMPOUNDS ACTIVE AT A NOVEL SITE ON RECEPTOR-OPERATED CALCIUM CHANNELS USEFUL FOR TREATMENT OF NEUROLOGICAL DISORDERS NPS PHARMA INC (US) 2003-05-02 EP disclosed
US-20020004522-A1 Nervous system disorders NPS PHARMACEUTICALS, INC. 2002-01-10 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-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

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 SLC6A4 1786/4885SLC6A2 1739/4885SLC6A3 1331/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB SLC6A4 2539/4885SLC6A2 678/4885SLC6A3 860/4885
US-20040039014-A1 Methods and compounds for treating depression and other disorders GRIN1, GRIN2C, GRIN3B SLC6A4 24/4885SLC6A2 89/4885SLC6A3 51/4885

“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.