SCHEMBL7044512

SCHEMBL7044512

CCCOc1cc(Cl)c(-c2c(C)nn3c(NCCNC4CCOCC4)cc(C)nc23)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 13/20 1.00
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CRHR1 P34998 2/20 0.45
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43

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
Hydrochloric Acid SCHEMBL7041794 0.99 NPY1R (0.98) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7042465 0.93 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7045687 0.90 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7037686 0.89 NPY1R (0.98) NPY1RUSP2ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7039372 0.87 NPY1R (0.80) NPY1RUSP2ALDH1A1HPGDHSD17B10
Bromide SCHEMBL7042704 0.85 NPY1R (0.80) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7044646 0.85 NPY1R (1.00) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7674802 0.85 NPY1R (0.84) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7043574 0.84 NPY1R (0.80) NPY1RUSP2ALDH1A1HPGDHSD17B10
SCHEMBL7043079 0.84 NPY1R (0.77) NPY1RUSP2ALDH1A1HPGDHSD17B10

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 1/4885USP2 4504/4885ALDH1A1 2283/4885

“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.