SCHEMBL5514744

SCHEMBL5514744

N#Cc1ccccc1CCc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TACR1 P25103 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
CYP19A1 P11511 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL2507390 0.85 FFAR1 (0.48) FFAR1MAOAMAOBSMN1; SMN2CYP19A1
SCHEMBL2154210 0.82 SMN1; SMN2 (0.49) FFAR1SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL5523244 0.82 MAOB (0.45) FFAR1MAOAMAOBTAAR1HTR2A
SCHEMBL11116103 0.82 FFAR1 (0.43) FFAR1MAOAMAOBTAAR1SMN1; SMN2
SCHEMBL10375929 0.79 NPC1 (0.49) FFAR1SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL11116297 0.78 POLB (0.53) FFAR1MAOBTAAR1SMN1; SMN2
SCHEMBL21001364 0.76 CA2 (0.49) SMN1; SMN2ALDH1A1
SCHEMBL28248440 0.74 CYP19A1 (0.46) FFAR1SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL28248935 0.74 CYP19A1 (0.46) FFAR1SMN1; SMN2CYP19A1ALDH1A1
SCHEMBL6952816 0.74 FFAR1 (0.46) FFAR1MAOAMAOBSMN1; SMN2

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-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
EP-0115690-A1 Dibenzocycloheptenylidenes AMERICAN HOME PRODUCTS CORPORATION (US) 1984-08-15 EP 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 FFAR1 346/4885MAOA 1169/4885MAOB 1000/4885
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 FFAR1 346/4885MAOA 1169/4885MAOB 1000/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB FFAR1 4238/4885MAOA 853/4885MAOB 383/4885

“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.