SCHEMBL2514575

SCHEMBL2514575

NC(=O)CCc1cscn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.38
SLC6A3 Q01959 9/20 0.38
KDM4C Q9H3R0 1/20 0.37
CAPN1 P07384 1/20 0.34
GAA P10253 2/20 0.34
DPP4 P27487 2/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
Malonic Acid SCHEMBL6672041 0.92 KDM4C (0.39) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL4779862 0.91 PKM (0.42) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL907879 0.82 KDM4E (0.44) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL4888615 0.81 MAPK1 (0.41) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL860903 0.80
SCHEMBL9079443 0.78 KDM4C (0.42) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL30223118 0.77 KDM4C (0.47) PKMMAPK1NPSR1KDM4EKDM4C
SCHEMBL6303359 0.77 MAPK1 (0.38) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL6679679 0.77 LMNA (0.38) PKMMAPK1NPSR1KDM4ESLC6A3
SCHEMBL7270380 0.77 TSHR (0.40) PKMMAPK1NPSR1KDM4EKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379538-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS Orchid Research Laboratories Limited (IN) 2011-10-26 EP claimed
WO-2010084402-A2 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2010-07-29 WO claimed
WO-2022226203-A1 PROTEASE INHIBITORS AND METHODS OF USE THE CLEVELAND CLINIC FOUNDATION (US) 2022-10-27 WO disclosed
US-8304577-B2 Modulators of G protein-coupled receptor 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-06 US disclosed
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 Bristol-Myers Squibb Company and Lexicon Pharmaceuticals, Inc. 2011-10-13 US disclosed
US-7358276-B2 for treating neurological disorders such as epilepsy, neuropathic pain, bipolar disorder or migraine; 2-(2-oxo-4-propyl-1-pyrrolidinyl)butanamide; neuroprotective agent UCB, S.A. (BE) 2008-04-15 US disclosed
US-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB BIOPHARMA SPRL (BE) 2005-08-04 US disclosed
EP-0439556-A4 HETEROCYCLIC PEPTIDE RENIN INHIBITORS 1991-10-30 EP disclosed
EP-0439556-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 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 (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-20050171188-A1 2-Oxo-1-pyrrolidine derivatives, processes for preparing them and their uses CYP1B1, OGDH, CYP1A2 PKM 342/4885MAPK1 2113/4885NPSR1 583/4885
US-20110251196-A1 Modulators of G Protein-Coupled Receptor 88 GPR88, GPR68, GRK2 PKM 4366/4885MAPK1 2451/4885NPSR1 305/4885

“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.