SCHEMBL5041314

SCHEMBL5041314

COC(=O)CC(N)c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
NOTUM Q6P988 1/20 0.45
PDE4D Q08499 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 1/20 0.43
HSD17B10 Q99714 3/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
MITF O75030 1/20 0.42
XBP1 P17861 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
MGAM O43451 1/20 0.42
KDR P35968 2/20 0.42
ITGB3 P05106 1/20 0.41

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
SCHEMBL13344628 1.00 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
Hydrochloric Acid SCHEMBL6506600 0.99 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL6421146 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL29511481 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL20157741 0.88 KDM4E (0.49) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
Hydrochloric Acid SCHEMBL6421139 0.87 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
Hydrochloric Acid SCHEMBL7980837 0.87 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL7451882 0.86 KDM4E (0.51) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL5045237 0.83 MGAM (0.50) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D
SCHEMBL7229467 0.83 MGAM (0.50) KDM4ESMN1; SMN2KMT2ANOTUMPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529042-B1 ARYLAMIDES INTERMED DISCOVERY GMBH (DE) 2013-02-20 EP disclosed
EP-1988078-B1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2012-10-17 EP disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 US disclosed
EP-1988078-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2008-11-05 EP disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 US disclosed
EP-1501795-B1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed
EP-0923555-B1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-06-15 EP disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
US-6849639-B2 Anticancer agents, antiinflamatory agents, osteoporosis, atherosclerosis AMGEN INC. (US) 2005-02-01 US disclosed
EP-1184374-A1 Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORPORATION (US) 2002-03-06 EP disclosed
US-20020019402-A1 Integrin inhibitors and their methods of use AMGEN INC. 2002-02-14 US disclosed
CN-1286684-A Carboxamide derivs. of pyrrolidine, piperidine and hexahydroazepine for treatment of thrombosis disorders ORTHO PHARMA CORP (US) 2001-03-07 CN disclosed
US-6069254-A Carboxamide derivatives of piperidine for the treatment of thrombosis disorders ORTHO PHARMACEUTICAL CORP. (US) 2000-05-30 US disclosed
EP-0923555-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-06-23 EP disclosed
WO-1997041102-A1 CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-06 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 (2 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-20020019402-A1 Integrin inhibitors and their methods of use ITGB3, ITGA5, ITGB5 KDM4E 3213/4885SMN1; SMN2 1945/4885KMT2A 3746/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO KDM4E 3121/4885SMN1; SMN2 2623/4885KMT2A 2826/4885

“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.