SCHEMBL5236233

SCHEMBL5236233

O=C(NCc1ccc(N2CCOCC2)cc1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.67
CNR2 P34972 8/20 0.67
TRPV1 Q8NER1 2/20 0.54
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
ABCB1 P08183 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NAMPT P43490 1/20 0.47
HDAC2 Q92769 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 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
SCHEMBL5238111 0.83 CNR1 (0.69) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5236769 0.82 CNR1 (0.66) CNR1CNR2BACE1SMN1; SMN2KDM4E
SCHEMBL5164108 0.80 CNR1 (1.00) CNR1CNR2ALDH1A1CYP2C9CYP3A4
SCHEMBL5318951 0.78 CNR1 (0.67) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5233081 0.78 CNR1 (0.64) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5236479 0.77 CNR1 (0.73) CNR1CNR2BACE1SMN1; SMN2KDM4E
SCHEMBL5236280 0.76 CNR1 (0.67) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5231981 0.76 CNR1 (0.70) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5236508 0.76 CNR1 (0.68) CNR1CNR2SMN1; SMN2KDM4EMAPT
SCHEMBL5159484 0.75 CNR1 (0.71) CNR1CNR2BACE1SMN1; SMN2KDM4E

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 11/4885TRPV1 5/4885

“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.