SCHEMBL3352270

SCHEMBL3352270

CCCCCON(CCC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
TLR8 Q9NR97 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KCNH2 Q12809 1/20 0.37
TACR1 P25103 1/20 0.36
PTPN1 P18031 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL27472697 0.98 LTA4H (0.42) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL11638360 0.91 NPC1 (0.45) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL11598815 0.88 LTA4H (0.40) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL11639542 0.88 NPC1 (0.45) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL11583718 0.87 LTA4H (0.43) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL27661446 0.87 NPC1 (0.42) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL27588621 0.87 NPC1 (0.39) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL28170173 0.87 NPC1 (0.42) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL27772826 0.85 NPC1 (0.38) LTA4HNPC1JAK2RAB9APAX8
SCHEMBL27627935 0.85 TLR8 (0.40) LTA4HNPC1JAK2RAB9APAX8

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
JP-52083811-A None JP disclosed
US-7723065-B2 Conditions for reactions mediated by yeast VICTORIA UNIVERSITY (AU) 2010-05-25 US disclosed
WO-2008026227-A2 A PROCESS FOR THE PREPARATION OF ATOMOXETINE HYDROCHLORIDE MATRIX LABORATORIES LTD (IN) 2008-03-06 WO 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-20050084943-A1 New conditions for reactions mediated by yeast VICTORIA UNIVERSITY OF TECHNOLOGY (AU) 2005-04-21 US disclosed
CN-1153568-C Compounds active at a novel side on receptor-operated calcium channel useful for treatment of neurological disorders NPSҩ�����޹�˾ 2004-06-16 CN disclosed
US-6750244-B2 NERVOUS SYSTEM DISORDERS NPS PHARMACEUTICALS, INC. 2004-06-15 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
US-6211245-B1 DRUGS FOR CONTROLLING CALCIUM MODULATORS NPS PHARMACEUTICALS, INC. 2001-04-03 US 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-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
JP-S5283811-A ARYLOXY PHENYL PROPYLAMINES AND THEIR SALTS LILLY CO ELI 1977-07-13 JP 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 LTA4H 1296/4885NPC1 1409/4885JAK2 4352/4885
US-20020004522-A1 Nervous system disorders HIF1A, PYGB, LDHB LTA4H 2627/4885NPC1 328/4885JAK2 3532/4885

“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.