SCHEMBL4664622

SCHEMBL4664622

CN(C)C(=O)c1c(O)cc2nc(C(F)(F)F)n(C)c2c1CCC(O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.32
GSK3B P49841 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SLC16A1 P53985 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PPARG P37231 1/20 0.31
CCR5 P51681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL4664660 0.76 NPC1 (0.33) TACR1NPC1RAB9AKDM4ECCR5
SCHEMBL5656761 0.70 PDK1 (0.32) GSK3BMAPTKDM4EPPARGSMN1; SMN2
SCHEMBL5657349 0.69 CXCR2 (0.32) GSK3BPPARG
SCHEMBL4664643 0.66 CXCR2 (0.33) GSK3BKDM4EPPARGSMN1; SMN2
SCHEMBL4662901 0.66 CXCR2 (0.33) GSK3BKDM4EPPARGSMN1; SMN2
SCHEMBL5138943 0.66 CXCR2 (0.33) GSK3BKDM4EPPARGSMN1; SMN2
SCHEMBL4664676 0.65 CXCR2 (0.34) NPC1RAB9AKDM4EPPARG
SCHEMBL4664608 0.65 PDK1 (0.32) GSK3BNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL4664836 0.63 PARP1 (0.35) KDM4ECCR5CYP1A2CYP2D6
SCHEMBL5427750 0.62 CXCR2 (0.34) PPARGSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080113963-A1 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2008-05-15 US disclosed
US-7307084-B2 Cyclic benzimidazoles ALTANA PHARMA AG (DE) 2007-12-11 US disclosed
US-20060194968-A1 Cyclic benizimidazoles ALTANA PHARMA AG (DE) 2006-08-31 US disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 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-20060194968-A1 Cyclic benizimidazoles VIP, SI, GIPR TACR1 1850/4885GSK3B 3676/4885ACSS2 1517/4885
US-20080113963-A1 Cyclic benzimidazoles VIP, GIPR, SI TACR1 1133/4885GSK3B 2991/4885ACSS2 2143/4885

“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.