SCHEMBL1609376

SCHEMBL1609376

O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.45
▸ FABP5 Q01469 3/20 0.44
▸ FABP7 O15540 2/20 0.44
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL1764043 1.00 PDK1 (0.45) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL16096466 1.00 PDK1 (0.45) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL29516524 1.00 PDK1 (0.45) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL30812381 0.93 FABP5 (0.43) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL1610021 0.85 TSHR (0.40) FABP5FABP7KMT2AMEN1POLB
SCHEMBL17477420 0.84 PDK1 (0.41) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL8070682 0.83 PIK3CD (0.43) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL25764556 0.83 PIK3CD (0.43) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL25764551 0.83 PIK3CD (0.43) PDK1FABP5FABP7KMT2AMEN1
SCHEMBL30018077 0.82 KMT2A (0.44) PDK1FABP5FABP7KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 — — US disclosed
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2019-06-13 — — US disclosed
US-10017536-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2018-07-10 — — US disclosed
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF CARA THERAPEUTICS, INC. (US) 2016-12-29 — — US disclosed
US-9334305-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2016-05-10 — — US disclosed
EP-2968591-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF Novartis AG (CH) 2016-01-20 — — EP disclosed
US-20140357579-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF VIFOR FRESENIUS MEDICAL CARE RENAL PHARMA LTD (CH) 2014-12-04 — — US disclosed
WO-2014151030-A1 CELL PROLIFERATION INHIBITORS AND CONJUGATES THEREOF NOVARTIS AG (CH) 2014-09-25 — — WO disclosed
CN-101535336-B Synthetic phthalamides and dimers thereof CARA THERAPEUTICS INC 2014-04-02 — — CN disclosed
US-8536131-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2013-09-17 — — US disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 — — WO disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
US-6432980-B1 PREVENTION OF COCCIDIOSIS IN POULTRY MERCK & CO., INC. 2002-08-13 — — US disclosed
WO-2001034150-A1 ALIPHATIC AMINE SUBSTITUTED PIPERIDYL DIARYL PYRROLE DERIVATIVES AS ANTIPROTOZOAL AGENTS MERCK & CO., INC. (US) 2001-05-17 — — 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 (8 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 PDK1 2793/4885FABP5 471/4885FABP7 1865/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 PDK1 2724/4885FABP5 436/4885FABP7 2052/4885
US-20160376308-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 PDK1 3517/4885FABP5 826/4885FABP7 78/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 PDK1 796/4885FABP5 3531/4885FABP7 2671/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 PDK1 3517/4885FABP5 826/4885FABP7 78/4885
US-20140357579-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 PDK1 3517/4885FABP5 826/4885FABP7 78/4885
US-10017536-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 PDK1 3517/4885FABP5 826/4885FABP7 78/4885
US-20190177365-A1 SYNTHETIC PEPTIDE AMIDES AND DIMERS THEREOF OPRK1, OPRL1, OPRM1 PDK1 3517/4885FABP5 826/4885FABP7 78/4885

“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.

Send feedback