SCHEMBL5791016

SCHEMBL5791016

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 2/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
HBB P68871 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5791021 1.00 PDE10A (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5788363 0.83 PDE10A (0.57) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5788367 0.83 PDE10A (0.57) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5791625 0.82 PDE10A (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5791619 0.82 PDE10A (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5789461 0.82 PDE10A (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5789458 0.82 PDE10A (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5790184 0.81 ALDH1A1 (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5792208 0.81 ALDH1A1 (0.54) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1
SCHEMBL5788499 0.80 PDE10A (0.52) PDE10ASMN1; SMN2CRHBPCRHR2L3MBTL1

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 PDE10A 2005/4885SMN1; SMN2 4024/4885CRHBP 499/4885

“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.