SCHEMBL5238111

SCHEMBL5238111

O=C(NCCN1CCOCC1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.69
▸ CNR2 P34972 4/20 0.69
▸ BCL3 P20749 5/20 0.56
▸ HPGDS O60760 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ GAA P10253 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
SCHEMBL5236280 0.91 CNR1 (0.67) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL5236508 0.90 CNR1 (0.68) CNR1CNR2KDM4ESMN1; SMN2MAPT
SCHEMBL17554166 0.87 BCL3 (0.73) BCL3HTTKDM4EALDH1A1MEN1
SCHEMBL31518356 0.84 KMT2A (0.63) BCL3HPGDSHTTKDM4EALDH1A1
SCHEMBL5795351 0.84 KMT2A (0.63) BCL3HPGDSHTTKDM4EALDH1A1
SCHEMBL5236233 0.83 CNR1 (0.67) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5236769 0.83 CNR1 (0.66) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5231981 0.82 CNR1 (0.70) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5164108 0.82 CNR1 (1.00) CNR1CNR2ALDH1A1
SCHEMBL17554125 0.81 BCL3 (0.74) BCL3HTTKDM4EALDH1A1MAPT

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 11/4885BCL3 3725/4885

“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.

Send feedback