SCHEMBL4778685

SCHEMBL4778685

O=C(NC1CCCC1)c1[c]cccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
HPGD P15428 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 2/20 0.49
EPHX2 P34913 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 2/20 0.47
TP53 P04637 1/20 0.47
EPHX1 P07099 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL14911305 0.98 NPC1 (0.54) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL1115073 0.97 NPC1 (0.47) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL1990596 0.93 NPC1 (0.49) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL6766655 0.87 EPHX2 (0.47) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL28160616 0.80 KDM1A (0.39) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL10388538 0.76 ALDH1A1 (0.49) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL10389745 0.75 NPC1 (0.50) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL10388899 0.75 RAB9A (0.57) NPC1RAB9AALDH1A1LMNAEPHX2
SCHEMBL17594622 0.75 NPC1 (0.52) NPC1MEN1KMT2ASMN1; SMN2EPHX1
SCHEMBL30666379 0.74 ALDH1A1 (0.77) NPC1RAB9AHPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US claimed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US claimed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO claimed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 WO disclosed
WO-2008012622-A2 AZABENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 NPC1 282/4885RAB9A 1014/4885HPGD 938/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 NPC1 651/4885RAB9A 1130/4885HPGD 935/4885

“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.