SCHEMBL5080211

SCHEMBL5080211

CN(Cc1ccccc1)C(=O)CC[C@H](N)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
KMT2A Q03164 3/20 0.62
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
MEN1 O00255 2/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
HPGD P15428 1/20 0.48
RIPK1 Q13546 1/20 0.48
CDK4 P11802 1/20 0.47
AOC3 Q16853 1/20 0.47
TSPO P30536 1/20 0.47
MAPK1 P28482 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
SCHEMBL5080215 1.00 NPC1 (0.68) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL23833849 0.98 NPC1 (0.66) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL8226894 0.90 NPC1 (0.66) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4934691 0.86 NPC1 (0.60) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL4934705 0.86 NPC1 (0.60) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL25507617 0.86 NPC1 (0.60) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL30174577 0.85 KMT2A (0.51) NPC1RAB9AKMT2AMEN1ALPI
Hydrochloric Acid SCHEMBL30420189 0.85 NPC1 (0.59) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL5083018 0.84 ALPI (0.51) NPC1RAB9AKMT2AALDH1A1POLB
SCHEMBL5083024 0.84 ALPI (0.51) NPC1RAB9AKMT2AALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed

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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP NPC1 2647/4885RAB9A 1699/4885KMT2A 3688/4885

“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.