SCHEMBL4004065

SCHEMBL4004065

O=C(NCc1ccc(Cl)c(F)c1)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.54
ERCC4 Q92889 2/20 0.54
SLC13A5 Q86YT5 2/20 0.51
ALDH1A1 P00352 4/20 0.49
EPHX2 P34913 2/20 0.49
POLB P06746 2/20 0.49
P2RX7 Q99572 1/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.48
USP2 O75604 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HSD11B1 P28845 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30791545 0.86 EPHX2 (0.61) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL2635463 0.84 ERCC1 (0.55) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL23455771 0.82 ATF4 (0.61) HPGDLMNA
SCHEMBL23455770 0.82 ATF4 (0.61) HPGDLMNA
SCHEMBL1750644 0.82 ERCC1 (0.54) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL13190006 0.82 ERCC1 (0.54) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL30491752 0.81 ERCC1 (0.52) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL91263 0.81 ERCC1 (0.52) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL14782772 0.81 ERCC1 (0.52) ERCC1ERCC4SLC13A5ALDH1A1EPHX2
SCHEMBL12101966 0.80 ERCC1 (0.51) ERCC1ERCC4SLC13A5ALDH1A1P2RX7

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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 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 (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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R ERCC1 4823/4885ERCC4 4592/4885SLC13A5 3396/4885

“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.