SCHEMBL7044535

SCHEMBL7044535

COc1cc(Cl)c(-c2c(C)nn3c(NCCNC(C)CF)cc(C)nc23)c(Cl)c1

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 0.75
CRHR1 P34998 3/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6467041 0.91 NPY1R (0.70) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL7044245 0.84 NPY1R (1.00) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL1593530 0.83 NPY1R (0.67) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL7041260 0.83 NPY1R (0.78) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL1593336 0.80 NPY1R (0.79) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL1593289 0.80 NPY1R (0.78) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL7039384 0.79 NPY1R (0.78) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL5729134 0.79 NPY1R (0.85) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL7039992 0.79 NPY1R (0.79) NPY1RCRHR1KDM4EALDH1A1MAPT
SCHEMBL7110712 0.79 NPY1R (0.78) NPY1RCRHR1KDM4EALDH1A1MAPT

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 claimed
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 claimed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US claimed
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 claimed

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 1/4885CRHR1 15/4885KDM4E 1742/4885

“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.