SCHEMBL5231981

SCHEMBL5231981

O=C(NCCO)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.70
CNR2 P34972 9/20 0.70
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
PPARG P37231 1/20 0.54
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.48
PDE10A Q9Y233 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL5318951 0.84 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236042 0.84 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236280 0.84 CNR1 (0.67) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236508 0.83 CNR1 (0.68) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5236575 0.83 CNR1 (0.66) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5233179 0.82 CNR1 (0.98) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5163850 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL5238111 0.82 CNR1 (0.69) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5158914 0.81 CNR1 (1.00) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5238560 0.81 CNR1 (0.64) 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 10 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
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN 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
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN 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 11/4885KDM4E 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.