SCHEMBL5728820

SCHEMBL5728820

Cc1cc(NCCNC2CCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3Cl)c2n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 9/20 0.61
CRHR1 P34998 6/20 0.54
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRL1 P41146 2/20 0.41
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL7038573 0.93 NPY1R (0.63) NPY1RCRHR1ALDH1A1HPGDUSP2
SCHEMBL5728776 0.75 NPY1R (0.85) NPY1RCRHR1ALDH1A1HPGDUSP2
Hydrochloric Acid SCHEMBL5729611 0.74 NPY1R (0.81) NPY1RCRHR1ALDH1A1HPGDUSP2
SCHEMBL5729134 0.74 NPY1R (0.85) NPY1RCRHR1ALDH1A1HPGDHSD17B10
SCHEMBL5728933 0.73 NPY1R (0.83) NPY1RCRHR1ALDH1A1HPGDHSD17B10
SCHEMBL5729567 0.71 NPY1R (0.79) NPY1RCRHR1ALDH1A1HPGDUSP2
SCHEMBL5729215 0.71 NPY1R (1.00) NPY1RALDH1A1HPGDUSP2HSD17B10
SCHEMBL5729654 0.71 NPY1R (0.78) NPY1RCRHR1ALDH1A1HPGDUSP2
SCHEMBL7044284 0.71 NPY1R (0.78) NPY1RCRHR1ALDH1A1HPGDUSP2
SCHEMBL5729799 0.70 NPY1R (0.98) NPY1RALDH1A1HPGDUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218381-B1 AMINO SUBSTITUTED PYRAZOLO¬1,5-a|-1,5-PYRIMIDINES AND PYRAZOLO¬1,5-a|-1,3,5-TRIAZINES NEUROGEN CORP (US) 2006-12-06 EP disclosed
US-6476038-B1 Amino substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo[1,5-a]-1,3,5-triazines NEUROGEN CORPORATION 2002-11-05 US disclosed
EP-1218381-A2 AMINO SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-20020002177-A1 Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-01-03 US disclosed
WO-2001023388-A2 AMINO SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 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-20020002177-A1 Endothelin receptor antagonists EDNRA, EDNRB, ECE1 NPY1R 198/4885CRHR1 150/4885ALDH1A1 3475/4885

“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.