SCHEMBL1350596

SCHEMBL1350596

Cc1cccnc1N1CCC(N)C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.50
PDE10A Q9Y233 1/20 0.45
PIM1 P11309 2/20 0.45
HSD11B1 P28845 1/20 0.44
PRKCQ Q04759 1/20 0.43
HRH4 Q9H3N8 4/20 0.42
MALT1 Q9UDY8 1/20 0.41
KMT2A Q03164 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL1350594 1.00 AKT1 (0.50) AKT1PDE10APIM1HSD11B1PRKCQ
SCHEMBL18239395 1.00 AKT1 (0.50) AKT1PDE10APIM1HSD11B1PRKCQ
Hydrochloric Acid SCHEMBL18228382 0.98 AKT1 (0.49) AKT1PDE10APIM1HSD11B1PRKCQ
SCHEMBL2804196 0.90 HSD11B1 (0.49) PIM1HSD11B1MALT1KMT2AHRH3
SCHEMBL11962830 0.86 HSD11B1 (0.45) PDE10AHSD11B1MALT1KMT2A
SCHEMBL10094610 0.86 HSD11B1 (0.45) PDE10AHSD11B1MALT1KMT2A
SCHEMBL25888999 0.86 HSD11B1 (0.45) PDE10AHSD11B1MALT1KMT2A
SCHEMBL17206944 0.82 HSD11B1 (0.50) PDE10AHSD11B1MALT1KMT2A
SCHEMBL1350750 0.81 MALT1 (0.50) AKT1PDE10AHSD11B1PRKCQHRH4
SCHEMBL1350753 0.81 MALT1 (0.50) AKT1PDE10AHSD11B1PRKCQHRH4

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-8063078-B2 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain GLAXOSMITHKLINE LLC (US) 2011-11-22 US disclosed
EP-2298757-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2011-03-23 EP disclosed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 US disclosed
EP-1425277-B8 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-04-01 EP disclosed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 EP disclosed
EP-1425277-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SmithKline Beecham P.L.C. (GB) 2004-06-09 EP disclosed
WO-2004024710-A1 UREA COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed
WO-2003022809-A2 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN SMITHKLINE BEECHAM P.L.C. (GB) 2003-03-20 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-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R AKT1 4433/4885PDE10A 371/4885PIM1 3327/4885

“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.