Sugi Predict

Sugi Predict / Compounds / SCHEMBL418958

SCHEMBL418958

SCHEMBL418958

CC(=O)N1C(C)CCC1C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PHGDH O43175 1/20 0.44
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 1/20 0.37
▸ MGLL Q99685 1/20 0.36
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ DPP4 P27487 3/20 0.34
▸ ACE P12821 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32

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
SCHEMBL13827670 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PHGDHRECQLMAPTMGLL
SCHEMBL13827669 1.00 SMN1; SMN2 (0.50) SMN1; SMN2PHGDHRECQLMAPTMGLL
SCHEMBL14438970 0.89 RECQL (0.56) SMN1; SMN2RECQLMGLLGAAALDH1A1
SCHEMBL6627605 0.89 RECQL (0.56) SMN1; SMN2RECQLMGLLGAAALDH1A1
SCHEMBL14426767 0.89 RECQL (0.56) SMN1; SMN2RECQLMGLLGAAALDH1A1
SCHEMBL8271433 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PHGDHRECQLMAPTMGLL
SCHEMBL16317261 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PHGDHRECQLMAPTMGLL
SCHEMBL16300651 0.83 SMN1; SMN2 (0.40) SMN1; SMN2PHGDHRECQLMAPTMGLL
SCHEMBL19083697 0.81 ACE (0.46) SMN1; SMN2PHGDHRECQLMAPTGAA
SCHEMBL19083695 0.81 ACE (0.46) SMN1; SMN2PHGDHRECQLMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780337-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME (US) 2017-12-20 — — EP disclosed
EP-2707361-B1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2017-08-23 — — EP disclosed
EP-1935890-B1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE MSD KK (JP) 2016-03-16 — — EP disclosed
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 — — US disclosed
EP-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 — — EP disclosed
US-8901146-B2 Aminoalkylpyrimidine derivatives as histamine H4 receptor antagonists MEDICIS PHARMACEUTICAL CORPORATION (US) 2014-12-02 — — US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 — — US disclosed
WO-2013074388-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — WO disclosed
US-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS MEDICIS PHARMACEUTICAL CORPORATION (US) 2013-01-17 — — US disclosed
WO-2012037044-A2 PROLYL ENDOPEPTIDASE PROBES SRI INTERNATIONAL (US) 2012-03-22 — — WO disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-7799820-B2 2-Heterocycle-substituted indole derivatives for treating diabetes and associated conditions BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-09-21 — — US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — US disclosed
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-05-07 — — US disclosed
EP-1935890-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-06-25 — — EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 — — US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 — — EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 — — US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 — — EP 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 (3 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-20130018031-A1 AMINOALKYLPYRIMIDINE DERIVATIVES AS HISTAMINE H4 RECEPTOR ANTAGONISTS HRH4, HRH2, HRH3 SMN1; SMN2 4871/4885PHGDH 880/4885RECQL 1129/4885
US-20090118304-A1 2-HETEROARYL-SUBSTITUTED INDOLE DERIVATIVE GCKR, GPR119, GCK SMN1; SMN2 4701/4885PHGDH 1509/4885RECQL 4135/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR SMN1; SMN2 2739/4885PHGDH 2605/4885RECQL 4153/4885

“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.