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SCHEMBL7044243

SCHEMBL7044243

COc1cc(Cl)cc(Cl)c1-c1c(C)nn2c(NCCNC3CCOCC3)cc(C)nc12

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 11/20 0.81
▸ PI4KB Q9UBF8 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ KDM4E B2RXH2 3/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPK1 P28482 1/20 0.46
▸ CRHR1 P34998 1/20 0.46
▸ LMNA P02545 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
SCHEMBL7045687 0.90 NPY1R (1.00) NPY1RPI4KBALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7037686 0.89 NPY1R (0.98) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7041652 0.86 NPY1R (0.79) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7550723 0.85 NPY1R (0.61) NPY1RPI4KBALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL7039372 0.85 NPY1R (0.80) NPY1RPI4KBALDH1A1HPGDHSD17B10
Bromide SCHEMBL7042704 0.85 NPY1R (0.80) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7044646 0.85 NPY1R (1.00) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7044542 0.85 NPY1R (0.79) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7042465 0.84 NPY1R (1.00) NPY1RPI4KBALDH1A1HPGDHSD17B10
SCHEMBL7042466 0.84 NPY1R (0.83) NPY1RPI4KBALDH1A1HPGDHSD17B10

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
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
US-20030092910-A1 Piperazine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-05-15 — — US 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 (2 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-20030092910-A1 Piperazine derivatives and process for the preparation thereof CBR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS NPY1R 1079/4885PI4KB 3275/4885ALDH1A1 58/4885
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 3962/4885ALDH1A1 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.