SCHEMBL5162341

SCHEMBL5162341

Cc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCC2)c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.75
CNR2 P34972 16/20 0.75
CYP2C9 P11712 2/20 0.62
KCNH2 Q12809 1/20 0.58
CYP3A4 P08684 1/20 0.56

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
SCHEMBL5188279 0.97 CNR1 (0.75) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5162522 0.91 CNR1 (0.76) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL14410647 0.91 CNR1 (0.76) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5234507 0.90 CNR1 (0.77) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5428574 0.88 CNR1 (0.78) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5232395 0.88 CNR1 (0.81) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5234226 0.88 CNR1 (0.73) CNR1CNR2CYP2C9KCNH2
SCHEMBL5237964 0.87 CNR1 (0.77) CNR1CNR2CYP2C9KCNH2CYP3A4
SCHEMBL5161954 0.87 CNR1 (0.77) CNR1CNR2CYP2C9KCNH2
SCHEMBL5231196 0.87 CNR1 (0.78) CNR1CNR2CYP2C9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US claimed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP claimed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO claimed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
EP-1756061-A1 THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
WO-2005115986-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 WO disclosed
WO-2005115987-A1 THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE SCAFFOLD ASTRAZENECA AB (SE) 2005-12-08 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-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CNR1 9/4885CNR2 16/4885CYP2C9 271/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CNR1 6/4885CNR2 11/4885CYP2C9 270/4885

“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.