SCHEMBL5237772

SCHEMBL5237772

COc1ccc(C(=O)Nc2cccnc2C(=O)NCC2(O)CCCCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.54
CNR2 P34972 12/20 0.54
BRD4 O60885 1/20 0.46
CYP2C9 P11712 1/20 0.45
P2RX7 Q99572 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 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
SCHEMBL5440433 0.84 CNR1 (0.69) CNR1CNR2P2RX7KDM4EMAPT
SCHEMBL5162184 0.83 CNR1 (0.73) CNR1CNR2CYP2C9
SCHEMBL5161954 0.82 CNR1 (0.77) CNR1CNR2CYP2C9
SCHEMBL5234293 0.79 CNR1 (0.61) CNR1CNR2CYP2C9KDM4EMAPT
SCHEMBL5239258 0.79 CNR1 (0.54) CNR1CNR2KDM4EMAPT
SCHEMBL5239126 0.78 CNR1 (0.72) CNR1CNR2CYP2C9
SCHEMBL5270671 0.78 CNR1 (0.58) CNR1CNR2CYP2C9
SCHEMBL5236167 0.77 CNR1 (0.57) CNR1CNR2CYP2C9
SCHEMBL5236335 0.77 CNR1 (0.60) CNR1CNR2CYP2C9
SCHEMBL5240699 0.75 CNR1 (0.70) CNR1CNR2CYP2C9

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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US 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
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS 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

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-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CNR1 6/4885CNR2 11/4885BRD4 358/4885

“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.