SCHEMBL1115073

SCHEMBL1115073

O=C(NC1CCC1)c1[c]cccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HPGD P15428 5/20 0.47
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.45
EPHX2 P34913 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRM5 P41594 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
EPHX1 P07099 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL4778685 0.97 NPC1 (0.51) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL14911305 0.95 NPC1 (0.54) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL1990596 0.93 NPC1 (0.49) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL6766655 0.87 EPHX2 (0.47) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL28160616 0.80 KDM1A (0.39) NPC1RAB9AKDM4EGAAMEN1
SCHEMBL3833694 0.74 HSD17B10 (0.46) RAB9AHPGDALDH1A1LMNAKDM4E
SCHEMBL20797091 0.73 NPC1 (0.51) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL10388538 0.73 ALDH1A1 (0.49) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL7097980 0.73 GRM5 (0.41) NPC1RAB9AHPGDALDH1A1LMNA
SCHEMBL2316588 0.73 NPC1 (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US claimed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP claimed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 WO claimed
US-20110059940-A1 2-Aryl Glycinamide Derivatives BRISTOL- MYERS SQUIBB COMPANY 2011-03-10 US disclosed
EP-2278878-A1 2-ARYL GLYCINAMIDE DERIVATIVES Bristol-Myers Squibb Company (US) 2011-02-02 EP disclosed
WO-2009137657-A1 2-ARYL GLYCINAMIDE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-12 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 (1 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-20110059940-A1 2-Aryl Glycinamide Derivatives IAPP, APP, BACE1 NPC1 254/4885RAB9A 908/4885HPGD 3553/4885

“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.