SCHEMBL537768

SCHEMBL537768

COc1ccc(NC(=O)NC2CCN(c3ccccc3)C2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.64
▸ MAPT P10636 4/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MCL1 Q07820 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ CCNC P24863 1/20 0.61
▸ CDK8 P49336 1/20 0.61
▸ EPHX2 P34913 3/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ EPHX1 P07099 1/20 0.58
▸ SLC1A2 P43004 1/20 0.55
▸ LMNA P02545 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL537551 0.88 CNR1 (0.71) CNR1MAPTALDH1A1KDM4EHPGD
SCHEMBL12677121 0.85 CNR1 (0.69) CNR1ALDH1A1EPHX2RAB9AEPHX1
SCHEMBL31616417 0.81 DRD2 (0.67) KDM4EEPHX2CYP2C19MEN1KMT2A
SCHEMBL31616403 0.81 DRD2 (0.67) KDM4EEPHX2CYP2C19MEN1KMT2A
SCHEMBL21332232 0.80 FPR1 (0.67) CNR1MAPTALDH1A1KDM4EHPGD
SCHEMBL10223935 0.79 EPHX2 (0.72) ALDH1A1CCNCCDK8EPHX2NPC1
SCHEMBL1749032 0.78 HRH3 (0.65) CNR1MAPTALDH1A1KDM4EHPGD
SCHEMBL1748880 0.78 HRH3 (0.65) CNR1MAPTALDH1A1KDM4EHPGD
SCHEMBL1749597 0.78 HRH3 (0.65) CNR1MAPTALDH1A1KDM4EHPGD
SCHEMBL4014103 0.78 EPHX2 (0.70) EPHX2EPHX1

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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298757-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2011-03-23 — — EP claimed
US-20090163506-A1 Urea-compounds active as vanilloid receptor antagonists for the treatment of pain SMITHKLINE BEECHAM PLC. (GB) 2009-06-25 — — US claimed
EP-1425277-B8 UREA-COMPOUNDS ACTIVE AS VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-04-01 — — EP claimed
EP-2036902-A2 Urea compounds active as vanilloid receptor antagonist for the treatment of pain Glaxo Group Limited (GB) 2009-03-18 — — EP claimed
US-20040171639-A1 Heterocyclic ureas, their preparation and their use as vanilloid receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 — — US claimed
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 claimed
EP-1392651-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 — — EP claimed
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 claimed
WO-2002090326-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 — — WO claimed
EP-2136639-B1 PYRID-2-YL FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2016-03-09 — — EP disclosed
EP-2262766-B1 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-11-11 — — EP disclosed
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof RENOVIS, INC. 2015-09-24 — — US disclosed
EP-1885369-B1 FUSED HETEROCYCLIC COMPOUNDS, AND COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2015-09-23 — — EP disclosed
US-9133122-B2 Amide compounds, compositions and uses thereof EVOTEC AG (DE) 2015-09-15 — — US 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
EP-1392651-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 — — EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 — — WO disclosed
WO-2003053945-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-03 — — 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
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 (3 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 CNR1 27/4885MAPT 2168/4885ALDH1A1 2656/4885
US-20040171639-A1 Heterocyclic ureas, their preparation and their use as vanilloid receptor antagonists TRPV1, UTS2R, GPR17 CNR1 4/4885MAPT 2704/4885ALDH1A1 844/4885
US-20150266822-A1 Amide Compounds, Compositions And Uses Thereof IL1B, ADORA2B, AVPR1B CNR1 28/4885MAPT 469/4885ALDH1A1 1016/4885

“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.

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