SCHEMBL4445192

SCHEMBL4445192

O=C(O)N1CC[C@@H]2CCCC[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DPP7 Q9UHL4 1/20 0.47
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD11B1 P28845 7/20 0.41
HSD17B1 P14061 1/20 0.41
SLC18A3 Q16572 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.35
CNR2 P34972 1/20 0.34
DPP4 P27487 2/20 0.33
PDK1 Q15118 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL385345 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL13254845 1.00 NPC1 (0.51) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL10757334 0.98 NPC1 (0.50) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL10752905 0.96 DPP7 (0.51) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL10591026 0.96 DPP7 (0.51) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL14740663 0.93 NPC1 (0.45) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL2824467 0.91 NPC1 (0.56) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL1419834 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL3169796 0.87 NPC1 (0.51) NPC1RAB9ASMN1; SMN2DPP7POLB
SCHEMBL6214888 0.86 DPP7 (0.39) NPC1RAB9ASMN1; SMN2DPP7POLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 US claimed
EP-4170347-A1 GASTRIC INHIBITORY PEPTIDE RECEPTOR LIGANDS 3B Pharmaceuticals GmbH (DE) 2023-04-26 EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS POLYPHOR AG (CH) 2017-12-28 US disclosed
US-9284352-B2 Beta-hairpin peptidomimetics having CXCR4 antagonizing activity POLYPHOR AG (CH) 2016-03-15 US disclosed
EP-2531204-B1 TEMPLATE - FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-02-03 EP disclosed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
US-8716242-B2 β-hairpin peptidomimetics POLYPHOR AG (CH) 2014-05-06 US disclosed
US-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS POLYPHOR AG (CH) 2012-11-08 US disclosed
EP-1937710-B1 KININ B1 RECEPTOR PEPTIDE AGONISTS AND USES THEREOF SOCPRA SCIENCES SANTE ET HUMAINES S E C (CA) 2012-10-17 EP disclosed
EP-2501715-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CCR10 ANTAGONISTIC ACTIVTY Polyphor Ag (CH) 2012-09-26 EP disclosed
US-20120129774-A1 KININ B1 RECEPTOR PEPTIDE AGONISTS AND USES THEREOF UNIVERSITE DE SHERBROOKE (CA) 2012-05-24 US disclosed
US-8076453-B2 Kinin B1 receptor peptide agonists and uses thereof Societe De Commercialisation Des Produits De La Recheche Appliquee-Socpra-Science Sante Et Humaines S.E.C. (CA) 2011-12-13 US disclosed
US-20090054347-A1 KININ B1 RECEPTOR PEPTIDE AGONISTS AND USES THEREOF UNIVERSITE DE SHERBROOKE (CA) 2009-02-26 US disclosed
EP-1937710-A1 KININ B1 RECEPTOR PEPTIDE AGONISTS AND USES THEREOF Université de Sherbrooke (CA) 2008-07-02 EP disclosed
WO-2006128293-A1 KININ B1 RECEPTOR PEPTIDE AGONISTS AND USES THEREOF UNIVERSITé DE SHERBROOKE (CA) 2006-12-07 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 (5 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-20120283196-A1 BETA-HAIRPIN PEPTIDOMIMETICS CXCL12, CXCR4, CXCR1 NPC1 3598/4885RAB9A 2613/4885SMN1; SMN2 618/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS NPC1 3288/4885RAB9A 2677/4885SMN1; SMN2 4312/4885
US-20170369523-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS THAT ARE LIGANDS FOR G-PROTEIN-COUPLED RECEPTORS (GPCRS) AND ARE MODULATORS OF TRANSCRIPTION FACTORS AND COACTIVATORS NCOA1, NCOA2, NCOR1 NPC1 2518/4885RAB9A 4520/4885SMN1; SMN2 1876/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 NPC1 2470/4885RAB9A 1575/4885SMN1; SMN2 2606/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS NPC1 3288/4885RAB9A 2677/4885SMN1; SMN2 4312/4885

“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.