SCHEMBL5234293

SCHEMBL5234293

COc1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCCO2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.61
CNR2 P34972 8/20 0.61
ALDH1A1 P00352 2/20 0.56
NPC1 O15118 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
MITF O75030 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL5236167 0.90 CNR1 (0.57) CNR1CNR2ALDH1A1NPC1CYP2C9
SCHEMBL5161954 0.86 CNR1 (0.77) CNR1CNR2CYP2C9
SCHEMBL5239126 0.86 CNR1 (0.72) CNR1CNR2CYP2C9
SCHEMBL5162184 0.85 CNR1 (0.73) CNR1CNR2CYP2C9
SCHEMBL5270671 0.82 CNR1 (0.58) CNR1CNR2CYP2C9
SCHEMBL5240503 0.81 CNR1 (0.53) CNR1CNR2CYP2C9
SCHEMBL5236335 0.81 CNR1 (0.60) CNR1CNR2CYP2C9
SCHEMBL5433796 0.80 CNR1 (0.51) CNR1CNR2CYP2C9
SCHEMBL5316775 0.79 CNR1 (0.53) CNR1CNR2CYP2C9MAPTKDM4E
SCHEMBL5237772 0.79 CNR1 (0.54) CNR1CNR2CYP2C9MAPTKDM4E

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 8 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
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 11/4885ALDH1A1 692/4885

“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.