SCHEMBL4841403

SCHEMBL4841403

[CH2]NNC(=O)COc1ccc(CN(C(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OC)cc2OC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ POLB P06746 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL17500350 0.94 NPC1 (0.43) NPC1RAB9AHSD17B10KMT2AMEN1
SCHEMBL303625 0.90 NPC1 (0.42) NPC1RAB9AHSD17B10KMT2AMEN1
SCHEMBL3433024 0.88 HSD17B10 (0.39) NPC1RAB9AHSD17B10KMT2AMEN1
SCHEMBL4784032 0.87 FABP5 (0.41) RAB9AKMT2AMEN1TSHRFABP5
SCHEMBL7557772 0.86 NPC1 (0.35) NPC1RAB9AHSD17B10KMT2AMEN1
SCHEMBL1526171 0.86 FABP5 (0.40) RAB9AKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL28069712 0.86 FABP5 (0.45) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2990766 0.86 MEN1 (0.43) NPC1RAB9AHSD17B10KMT2AMEN1
SCHEMBL208874 0.85 FABP5 (0.41) RAB9AKMT2AMEN1SMN1; SMN2TSHR
SCHEMBL3499128 0.85 HSD17B10 (0.36) NPC1RAB9AHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233888-B1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-02-22 — — EP disclosed
US-20210388051-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ANCHORED LYSINE CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S A (GR) 2021-12-16 — — US disclosed
US-9861680-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 — — US disclosed
US-20160175386-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 — — US disclosed
US-20160031962-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ACHORED LYSINE CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2016-02-04 — — US disclosed
EP-2838915-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ANCHORED LYSINE Barlos, Kleomenis K. (GR) 2015-02-25 — — EP disclosed
WO-2013156977-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ANCHORED LYSINE BARLOS KLEOMENIS K (GR) 2013-10-24 — — WO disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 — — US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 — — US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 — — US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 — — US disclosed
US-20040142854-A1 Compounds and methods for stimulating beta-catenin mediated gene expression and differentiation ADHEREX TECHNOLOGIES, INC. (CA) 2004-07-22 — — US disclosed
US-6706685-B1 Compounds and methods for stimulating β-catenin mediated gene expression and differentiation ADHEREX TECHNOLOGIES INC. (CA) 2004-03-16 — — US disclosed
US-20020168761-A1 Peptidomimetic modulators of cell adhesion ADHERFX TECHNOLOGIES, INC. (CA) 2002-11-14 — — US disclosed
WO-2001053331-A9 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES INC (CA) 2002-10-31 — — WO disclosed
WO-2001053331-A2 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2001-07-26 — — WO disclosed
WO-2000059939-A1 COMPOUNDS AND METHODS FOR STIMULATING β-CATENIN MEDIATED GENE EXPRESSION AND DIFFERENTIATION ADHEREX TECHNOLOGIES INC. (CA) 2000-10-12 — — 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 (6 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-20160175386-A1 Immunomodulators CD274, PDCD1, PDCD1LG2 NPC1 3367/4885RAB9A 1856/4885HSD17B10 4444/4885
US-20160031962-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ACHORED LYSINE IAPP, INSRR, IGFBP6 NPC1 2844/4885RAB9A 4440/4885HSD17B10 2490/4885
US-20210388051-A1 SOLID PHASE PEPTIDE SYNTHESIS OF INSULIN USING SIDE CHAIN ANCHORED LYSINE IAPP, INSR, INSRR NPC1 2842/4885RAB9A 4503/4885HSD17B10 3149/4885
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 NPC1 2446/4885RAB9A 248/4885HSD17B10 4481/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 NPC1 4627/4885RAB9A 2023/4885HSD17B10 4125/4885
US-20020168761-A1 Peptidomimetic modulators of cell adhesion CDH1, EPCAM, VCAM1 NPC1 4627/4885RAB9A 2023/4885HSD17B10 4125/4885

“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.

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