SCHEMBL2540747

SCHEMBL2540747

Cc1ccc(C2CN(C=O)CCO2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
PRKDC P78527 3/20 0.33
CYP2A6 P11509 1/20 0.32
DRD4 P21917 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
DRD3 P35462 1/20 0.30
CNR1 P21554 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL2543623 0.81
SCHEMBL5055418 0.74 AR (0.38) CYP1A2DRD3
SCHEMBL15347806 0.74 GSK3B (0.45) CYP1A2
SCHEMBL14486080 0.74 PTK6 (0.40)
SCHEMBL295269 0.73 CNR2 (0.46) CYP1A2DRD3
SCHEMBL947450 0.73 DRD2 (0.37) CYP1A2DRD4DRD3
SCHEMBL14486288 0.72 MT-CO2 (0.35) CYP1A2
SCHEMBL14486486 0.72 CYP1A2 (0.32) CYP1A2
SCHEMBL16163924 0.72 DRD3 (0.34) DRD3
SCHEMBL2403696 0.71 ALDH1A1 (0.34) CYP1A2OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846694-B2 Pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2014-09-30 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP CYP1A2 1751/4885PRKDC 2823/4885CYP2A6 4046/4885

“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.