SCHEMBL1349702

SCHEMBL1349702

Cc1cccc(N2CCC(N)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
KHK P50053 1/20 0.53
ADRB1 P08588 1/20 0.51
DPP4 P27487 1/20 0.48
KCNH2 Q12809 2/20 0.46
GPR119 Q8TDV5 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
BPTF Q12830 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ACACB O00763 1/20 0.43
DHFR P00374 1/20 0.43
KARS1 Q15046 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6488653 1.00 NOTUM (0.60) NOTUMKHKADRB1DPP4KCNH2
SCHEMBL1349699 1.00 NOTUM (0.60) NOTUMKHKADRB1DPP4KCNH2
Oxalic Acid SCHEMBL9310666 0.91 NOTUM (0.67) NOTUMKHKADRB1DPP4GPR119
SCHEMBL9312444 0.90 NOTUM (0.54) NOTUMKHKADRB1DPP4KCNH2
SCHEMBL9982790 0.90 ADRB1 (0.59) NOTUMADRB1DPP4KCNH2GPR119
Hydrochloric Acid SCHEMBL9876690 0.87 ADRB1 (0.56) NOTUMKHKADRB1DPP4KCNH2
SCHEMBL16785627 0.85 NOTUM (0.61) NOTUMADRB1DPP4KCNH2GPR119
SCHEMBL16785618 0.85 NOTUM (0.61) NOTUMADRB1DPP4KCNH2GPR119
SCHEMBL12653838 0.85 NOTUM (0.61) NOTUMADRB1DPP4KCNH2GPR119
SCHEMBL8038976 0.81 DPP4 (0.55) KHKADRB1DPP4KCNH2ALDH1A1

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 11 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
US-6939891-B2 Nitrogen compounds such as N-(4-Fluorophenyl)-N'-[(R)-1-((3-methylphenyl)pyrrolidin-2-ylmethyl)]urea, used as analgesics SMITHKLINE BEECHAM, PLC (GB) 2005-09-06 US disclosed
US-20040171639-A1 Heterocyclic ureas, their preparation and their use as vanilloid receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US 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
EP-1392651-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP 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
WO-2002090326-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 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-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain TRPV1, OPRL1, UTS2R NOTUM 2509/4885KHK 2931/4885ADRB1 124/4885
US-20040171639-A1 Heterocyclic ureas, their preparation and their use as vanilloid receptor antagonists TRPV1, UTS2R, GPR17 NOTUM 3348/4885KHK 2636/4885ADRB1 35/4885

“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.