SCHEMBL5131801

SCHEMBL5131801

CCC(CC)C(=O)Nc1cc(Cl)c(N2CC[N]CC2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 2/20 0.45
SHMT2 P34897 1/20 0.43
TSHR P16473 1/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
NPY2R P49146 2/20 0.39

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
SCHEMBL5128217 0.84 SHMT2 (0.53) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL1949773 0.73 KMT2A (0.79) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL4011718 0.70 SHMT2 (0.49) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL19592404 0.66 MEN1 (0.65) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL13018942 0.66 HTT (0.66) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL4564205 0.65 NPY2R (0.48) HTTNPSR1LMNASHMT2NPY2R
SCHEMBL19831744 0.64 KMT2A (0.65) HTTNPSR1KMT2AMEN1LMNA
SCHEMBL21670265 0.62 LMNA (0.66) KMT2AMEN1LMNATSHRCYP2D6
SCHEMBL5081479 0.62 NPY2R (0.57) HTTNPSR1KMT2AMEN1CYP2D6
SCHEMBL4681925 0.62 MEN1 (0.86) HTTNPSR1KMT2AMEN1LMNA

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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R HTT 2233/4885NPSR1 5/4885KMT2A 1618/4885

“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.