SCHEMBL4555232

SCHEMBL4555232

CCCC1CC(=O)N(Cc2ccnc3nc[nH]c23)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
ADORA1 P30542 1/20 0.33
PBK Q96KB5 1/20 0.32
BRD4 O60885 4/20 0.32
ALDH1A1 P00352 1/20 0.31
PNP P00491 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
BRDT Q58F21 1/20 0.31

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
SCHEMBL29868364 0.83 TNF (0.33) TNFADORA1ALDH1A1PNP
SCHEMBL2336000 0.83 TNF (0.33) TNFADORA1ALDH1A1PNP
SCHEMBL5062853 0.83 TNF (0.37) TNFADORA1ALDH1A1
SCHEMBL2330678 0.78 NUDT1 (0.36) PBK
SCHEMBL2754287 0.78 HPGD (0.53) TNFBRD4ALDH1A1
SCHEMBL2333112 0.76 TNF (0.30) TNFALDH1A1
SCHEMBL2360928 0.74 BRD4 (0.39) ADORA1BRD4
SCHEMBL6951015 0.73 CAMKK1 (0.32)
SCHEMBL2361341 0.73 TNF (0.33) TNFADORA1BRD4
SCHEMBL10238189 0.73 TNF (0.33) TNFADORA1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 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 (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-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 TNF 2488/4885ADORA1 881/4885PBK 2190/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 TNF 2488/4885ADORA1 881/4885PBK 2190/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 TNF 2677/4885ADORA1 760/4885PBK 1519/4885

“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.