SCHEMBL5236434

SCHEMBL5236434

O=C(NCC1CCC1)c1cnccc1NC(=O)c1cccc2ccccc12

nearest known ligand 0.94

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.94
CNR2 P34972 14/20 0.94
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 1/20 0.57
HDAC2 Q92769 1/20 0.52
BCHE P06276 1/20 0.51

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
SCHEMBL5237937 0.98 CNR1 (0.98) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL5232607 0.97 CNR1 (1.00) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL5232673 0.96 CNR1 (0.90) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL5238566 0.89 CNR1 (1.00) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL5234817 0.86 CNR1 (0.71) CNR1CNR2
SCHEMBL5235997 0.84 CNR1 (0.74) CNR1CNR2
SCHEMBL5163850 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL5239993 0.82 CNR1 (0.71) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL4185327 0.81 CNR1 (0.73) CNR1CNR2ALDH1A1NPC1HDAC2
SCHEMBL4194677 0.81 CNR1 (0.73) CNR1CNR2ALDH1A1NPC1BCHE

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 8 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

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 11/4885ALDH1A1 692/4885

“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.