SCHEMBL5790184

SCHEMBL5790184

Cc1cc(N2CCCC2)nc(/C=C/c2ccc(C#N)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
PDE10A Q9Y233 2/20 0.53
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
EGLN2 Q96KS0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
RECQL P46063 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
ABL1 P00519 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
SCHEMBL5792208 1.00 ALDH1A1 (0.54) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5788095 0.87 HRH4 (0.53) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5788097 0.87 HRH4 (0.53) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5788367 0.82 PDE10A (0.57) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5788363 0.82 PDE10A (0.57) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5791619 0.81 PDE10A (0.54) ALDH1A1LMNANPSR1HTTPDE10A
SCHEMBL5789458 0.81 PDE10A (0.54) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5789461 0.81 PDE10A (0.54) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5791021 0.81 PDE10A (0.54) ALDH1A1LMNATSHRNPSR1HTT
SCHEMBL5791016 0.81 PDE10A (0.54) ALDH1A1LMNATSHRNPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 US claimed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 US claimed
EP-1335906-B1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2006-09-27 EP disclosed
US-6657060-B2 Neuropeptide Y antagonists; treatment of eating disorders such as obesity and hyperphagia HOFFMAN-LA ROCHE INC. 2003-12-02 US disclosed
EP-1335906-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. Hoffman-la Roche AG (CH) 2003-08-20 EP disclosed
US-20020086858-A1 Pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2002-07-04 US disclosed
WO-2002038551-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y RECEPTOR LIGANDS F. HOFFMAN-LA ROCHE AG (CH) 2002-05-16 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-20020086858-A1 Pyrimidine derivatives NPY1R, NPY5R, NPY4R ALDH1A1 4142/4885LMNA 4277/4885TSHR 180/4885

“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.