SCHEMBL7112150

SCHEMBL7112150

Cc1cc(NCCC2CC(NC(=O)OC(C)(C)C)CCO2)n2nc(C)c(-c3c(Cl)cc(C#N)cc3Cl)c2n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 12/20 0.48
PI4KB Q9UBF8 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CRHR1 P34998 1/20 0.34
DRD2 P14416 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL7043079 0.75 NPY1R (0.77) NPY1RPI4KBUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7042696 0.75 NPY1R (0.76) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL7038988 0.69 NPY1R (0.50) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL7040993 0.69 NPY1R (0.54) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL7044542 0.69 NPY1R (0.79) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL7045624 0.68 NPY1R (0.54) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL1593551 0.68 NPY1R (0.62) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL7043574 0.68 NPY1R (0.80) NPY1RPI4KBUSP2ALDH1A1HPGD
SCHEMBL6437807 0.67 NPY1R (0.48) NPY1RPI4KBUSP2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL7039372 0.66 NPY1R (0.80) NPY1RPI4KBUSP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-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-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R NPY1R 1/4885PI4KB 3962/4885USP2 4504/4885

“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.