SCHEMBL5158914

SCHEMBL5158914

O=C(NCC1CCCCC1)c1ncccc1NC(=O)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 19/20 1.00
CNR2 P34972 16/20 1.00
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL5233179 0.99 CNR1 (0.98) CNR1CNR2KDM4EMAPTSMN1; SMN2
SCHEMBL5163850 0.97 CNR1 (1.00) CNR1CNR2
SCHEMBL5164108 0.90 CNR1 (1.00) CNR1CNR2
SCHEMBL5235549 0.88 CNR1 (1.00) CNR1CNR2
SCHEMBL5231196 0.88 CNR1 (0.78) CNR1CNR2
SCHEMBL5236840 0.87 CNR1 (1.00) CNR1CNR2
SCHEMBL5238181 0.87 CNR1 (0.76) CNR1CNR2
SCHEMBL5237669 0.86 CNR1 (0.98) CNR1CNR2
SCHEMBL5188279 0.86 CNR1 (0.75) CNR1CNR2
SCHEMBL5233590 0.86 CNR1 (0.75) CNR1CNR2

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 13 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
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
EP-1756060-A1 THERAPEUTIC COMPOUNDS: PYRIDINE AS SCAFFOLD AstraZeneca AB (SE) 2007-02-28 EP disclosed
EP-1756061-A1 THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE 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
WO-2005115987-A1 THERAPEUTIC COMPOUNDS: PYRIDINE N OXIDE 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 (2 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-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CNR1 9/4885CNR2 16/4885KDM4E 2141/4885
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.