SCHEMBL5236479

SCHEMBL5236479

O=C(NC1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 12/20 0.73
CNR2 P34972 10/20 0.73
KDM4E B2RXH2 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2C9 P11712 2/20 0.50
ALDH1A1 P00352 2/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.47
BACE1 P56817 1/20 0.45
GAA P10253 1/20 0.45
PDE4B Q07343 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5230358 0.90 CNR1 (0.72) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5232573 0.90 CNR1 (0.70) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5238904 0.89 CNR1 (0.72) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5232830 0.85 CNR1 (0.55) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5159484 0.85 CNR1 (0.71) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5237631 0.85 CNR1 (0.60) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5164108 0.85 CNR1 (1.00) CNR1CNR2CYP2C9ALDH1A1NPC1
SCHEMBL5439358 0.83 CNR1 (0.59) CNR1CNR2CYP2C9CYP3A4
SCHEMBL5316775 0.83 CNR1 (0.53) CNR1CNR2KDM4EMAPTCYP2C9
SCHEMBL5236769 0.82 CNR1 (0.66) CNR1CNR2KDM4EMAPTSMN1; SMN2

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
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

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 11/4885KDM4E 2218/4885

“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.