SCHEMBL6949757

SCHEMBL6949757

CCCC1CC(=O)N(CC2=CCc3ccc([N+](=O)[O-])cc32)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.41
PNMT P11086 4/20 0.38
ADRA2A P08913 3/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR1A P08908 1/20 0.36
DRD1 P21728 1/20 0.36
TDP1 Q9NUW8 1/20 0.34
DRD2 P14416 1/20 0.33
HTR2A P28223 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
SCHEMBL5055355 0.73 NQO2 (0.44) HTR2A
SCHEMBL5055942 0.73 PKM (0.47) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL12355694 0.68 PNMT (0.57) PNMTADRA2AADRA2BADRA2C
SCHEMBL2750474 0.67 CNR2 (0.39)
SCHEMBL2333631 0.67 CYP1A2 (0.37) TDP1
SCHEMBL9456724 0.63 TDP1 (0.54) TDP1
SCHEMBL10515553 0.63 ACHE (0.50) ACHEHTR1ADRD1DRD2HTR2A
SCHEMBL8308247 0.63 CHRM4 (0.42) ACHEPNMTADRA2AADRA2BADRA2C
SCHEMBL2951891 0.62 KAT2B (0.40) TDP1
Hydrochloric Acid SCHEMBL10515109 0.62 ACHE (0.49) ACHEHTR1ADRD1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 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
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 (1 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-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 ACHE 2392/4885PNMT 217/4885ADRA2A 236/4885

“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.