SCHEMBL354800

SCHEMBL354800

Cc1noc(-c2ccc(N3CCNCC3)c(C#N)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
S1PR1 P21453 6/20 0.46
IKBKE Q14164 1/20 0.42
TBK1 Q9UHD2 1/20 0.42
NPY2R P49146 1/20 0.42
S1PR3 Q99500 2/20 0.41
RET P07949 1/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
UBE2N P61088 1/20 0.41
KMT2A Q03164 1/20 0.41
XDH P47989 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40
ACHE P22303 1/20 0.40
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
ACVR1B P36896 1/20 0.39
ACVRL1 P37023 1/20 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
SCHEMBL356739 0.85 NPY2R (0.56) S1PR1NPY2RS1PR3POLB
SCHEMBL354519 0.83 NPY2R (0.52) TP53IKBKETBK1NPY2RPOLB
Hydrochloric Acid SCHEMBL355157 0.82 NPY2R (0.52) TP53IKBKETBK1NPY2RPOLB
SCHEMBL355103 0.78 GPR119 (0.54) TP53IKBKETBK1NPY2RRET
SCHEMBL356344 0.74 ACHE (0.47) TP53S1PR1S1PR3ACHE
SCHEMBL20883839 0.73 HTR3A (0.52) ALDH1A1TAAR1
SCHEMBL15920300 0.72 NPY2R (0.40) TP53S1PR1TBK1NPY2RPOLB
SCHEMBL21561036 0.72 ALDH1A1 (0.51) ALDH1A1TAAR1
SCHEMBL10094740 0.70 ACHE (0.61) TP53S1PR1ALDH1A1GAAACHE
SCHEMBL12391626 0.70 S1PR1 (0.47) TP53S1PR1TBK1POLBGAA

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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-01-19 US disclosed
WO-2009079593-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-20120015957-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R TP53 4398/4885S1PR1 301/4885IKBKE 2572/4885

“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.