SCHEMBL5523244

SCHEMBL5523244

N#Cc1cc(F)ccc1CCc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
MAOA P21397 2/20 0.45
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
AR P10275 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
SNCA P37840 1/20 0.37
RORC P51449 1/20 0.36
DAO P14920 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35

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
SCHEMBL5514744 0.82 FFAR1 (0.43) MAOBMAOAFFAR1HTR2AHTR2C
SCHEMBL18245710 0.80 MAOA (0.36) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL18517018 0.80 AR (0.42) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL27660794 0.80 MAOA (0.36) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL18246279 0.80 FFAR1 (0.37) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL18246141 0.77 APLNR (0.42) HTR2AHTR2CRORC
SCHEMBL31549835 0.76 TYR (0.44) AR
SCHEMBL21767055 0.76 MAOA (0.36) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL18253959 0.76 MAOA (0.36) MAOBMAOAFFAR1FFAR4HTR2A
SCHEMBL18471267 0.76 MAOA (0.36) MAOBMAOAFFAR1FFAR4HTR2A

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 10 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
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-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-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US 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

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 MAOB 1000/4885MAOA 1169/4885FFAR1 346/4885
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 MAOB 1000/4885MAOA 1169/4885FFAR1 346/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB MAOB 383/4885MAOA 853/4885FFAR1 4238/4885

“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.