SCHEMBL12430299

SCHEMBL12430299

CC(C)C(=O)N1CCCC(C(=O)O)C1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.44
ACE P12821 3/20 0.43
XPNPEP2 O43895 1/20 0.43
GRM3 Q14832 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
CHRNB3 Q05901 1/20 0.42
CHRNA6 Q15825 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRSS1 P07477 2/20 0.40
TMPRSS15 P98073 2/20 0.40
REN P00797 1/20 0.40
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39

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
SCHEMBL3283616 0.89 XPNPEP2 (0.45) ALDH1A1ACEXPNPEP2CHRNB2CHRNA3
SCHEMBL12233572 0.89 XPNPEP2 (0.45) ALDH1A1ACEXPNPEP2CHRNB2CHRNA3
SCHEMBL20839142 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1ACEXPNPEP2GRM3
SCHEMBL20839141 0.88 ALDH1A1 (0.45) ALDH1A1MAPK1ACEXPNPEP2GRM3
SCHEMBL22991239 0.86 ALDH1A1 (0.44) ALDH1A1MAPK1ACEXPNPEP2GRM3
SCHEMBL12741548 0.86 CHRNB2 (0.42) ALDH1A1MAPK1CHRNB2CHRNA3CHRNA4
SCHEMBL10311690 0.84 ALDH1A1 (0.55) ALDH1A1MAPK1CHRNB2CHRNA3CHRNA4
SCHEMBL21431189 0.82 DPP4 (0.48) ALDH1A1MAPK1ACEXPNPEP2GRM3
SCHEMBL3718155 0.82 SMN1; SMN2 (0.46) ALDH1A1MAPK1ACEXPNPEP2SMN1; SMN2
SCHEMBL18596173 0.81 ALDH1A1 (0.42) ALDH1A1MAPK1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026484-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
WO-2023168367-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS IMMUNESENSOR THERAPEUTICS, INC. (US) 2023-09-07 WO disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-7977339-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2011-07-12 US disclosed
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-12-09 US disclosed
US-7795265-B2 Substituted imidazole 4-carboxamides as cholecystokinin-1 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-09-14 US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885MAPK1 3450/4885ACE 80/4885
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 ALDH1A1 4257/4885MAPK1 702/4885ACE 2406/4885
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT ALDH1A1 1710/4885MAPK1 2695/4885ACE 343/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS ALDH1A1 4236/4885MAPK1 3349/4885ACE 485/4885
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885MAPK1 3349/4885ACE 485/4885
US-20100311649-A1 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS CCKAR, CCKBR, GPR119 ALDH1A1 4257/4885MAPK1 702/4885ACE 2406/4885

“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.