SCHEMBL5357814

SCHEMBL5357814

CCc1nc(-c2ccc(OC)cc2OC)nc(OC)c1CCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.49
▸ CRHR1 P34998 4/20 0.47
▸ MTNR1A P48039 2/20 0.41
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.39
▸ ALPL P05186 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL5363181 0.87 CRHR1 (0.54) ADORA3CRHR1MTNR1AMAPTMPO
SCHEMBL5353273 0.79 CRHR1 (0.54) ADORA3CRHR1MAPTKDM4EALDH1A1
SCHEMBL5360027 0.76 CRHR1 (0.49) ADORA3CRHR1MAPT
SCHEMBL5351554 0.72 CRHR1 (0.55) ADORA3CRHR1MAPTCSNK2A1ALPL
SCHEMBL5357818 0.72 CRHR1 (0.52) ADORA3CRHR1LMNAMAPT
SCHEMBL5360029 0.69 CRHR1 (0.42) ADORA3CRHR1POLB
SCHEMBL6678654 0.69 CYP1A1 (0.58) ADORA3CRHR1LMNAMAPTKDM4E
SCHEMBL28028759 0.69 MTNR1A (0.59) MTNR1AALDH1A1MEN1POLBKMT2A
SCHEMBL6283374 0.67 CRHR1 (0.71) ADORA3CRHR1LMNAALDH1A1
SCHEMBL5351558 0.67 CRHR1 (0.60) ADORA3CRHR1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169790-B2 5-substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION (US) 2007-01-30 — — US disclosed
US-20050234051-A1 5-Substituted 2-aryl-4 pyrimidinones NEUROGEN CORPORATION (US) 2005-10-20 — — US disclosed
US-6943173-B2 5-substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION (US) 2005-09-13 — — US disclosed
EP-1301490-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2003-04-16 — — EP disclosed
US-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones NEUROGEN CORPORATION 2002-05-02 — — US disclosed
WO-2002006242-A2 5-SUBSTITUTED 2-ARYL-4-PYRIMIDINONES NEUROGEN CORPORATION (US) 2002-01-24 — — 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 (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-20020052387-A1 5-Substituted 2-aryl-4-pyrimidinones CRHR1, CRHR2, HTR4 ADORA3 268/4885CRHR1 1/4885MTNR1A 108/4885
US-20050234051-A1 5-Substituted 2-aryl-4 pyrimidinones CRHR1, CRHR2, HTR4 ADORA3 242/4885CRHR1 1/4885MTNR1A 134/4885

“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.

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