SCHEMBL1769068

SCHEMBL1769068

NC(CNC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GAA P10253 1/20 0.57
CASR P41180 1/20 0.54

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
SCHEMBL24324149 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAACASR
SCHEMBL1769064 1.00 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GAACASR
SCHEMBL8231488 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL27734524 0.87 NPC1 (0.57) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL28212893 0.85 NPC1 (0.62) NPC1RAB9ASMN1; SMN2GAA
SCHEMBL5076672 0.84 LMNA (0.56) NPC1RAB9AGAACASR
SCHEMBL5076667 0.84 LMNA (0.56) NPC1RAB9AGAACASR
SCHEMBL1768708 0.84 CYP1A2 (0.55) RAB9ASMN1; SMN2
SCHEMBL24324163 0.84 CYP1A2 (0.55) RAB9ASMN1; SMN2
SCHEMBL1768705 0.84 CYP1A2 (0.55) RAB9ASMN1; 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 26 patents — showing the first 20. 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
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
WO-2011095607-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2011-08-11 WO disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 US disclosed
EP-2350014-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2011-08-03 EP disclosed
WO-2011060937-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY POLYPHOR AG (CH) 2011-05-26 WO disclosed
WO-2010037533-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA (DE) 2010-04-08 WO disclosed
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US disclosed
EP-1451148-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-01 EP disclosed
WO-2003045878-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-06-05 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 (4 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 1699/4885SMN1; SMN2 1582/4885
US-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 NPC1 3946/4885RAB9A 3798/4885SMN1; SMN2 1673/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 NPC1 1872/4885RAB9A 1588/4885SMN1; SMN2 2326/4885
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A NPC1 665/4885RAB9A 1339/4885SMN1; SMN2 855/4885

“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.