SCHEMBL1349683

SCHEMBL1349683

N[C@@H]1CCN(c2cccc(F)c2)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.66
KHK P50053 1/20 0.47
HTR2B P41595 3/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
C1S P09871 3/20 0.41
VCP P55072 1/20 0.41
SSTR2 P30874 1/20 0.41
MLYCD O95822 1/20 0.41
ADORA2A P29274 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
NOTUM Q6P988 1/20 0.40
HTR6 P50406 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 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
SCHEMBL6485626 1.00 BPTF (0.66) BPTFKHKHTR2BHTR2AHTR2C
SCHEMBL1349684 1.00 BPTF (0.66) BPTFKHKHTR2BHTR2AHTR2C
SCHEMBL30818756 0.90 BPTF (0.58) BPTFKHKHTR2BHTR2AHTR2C
SCHEMBL29991273 0.90 BPTF (0.60) BPTFHTR2BHTR2AHTR2CC1S
SCHEMBL377392 0.90 BPTF (0.60) BPTFHTR2BHTR2AHTR2CC1S
Hydrochloric Acid SCHEMBL376509 0.88 BPTF (0.59) BPTFHTR2BHTR2AHTR2CC1S
SCHEMBL1349699 0.80 NOTUM (0.60) BPTFKHKHRH4NOTUM
SCHEMBL5710409 0.80 BPTF (0.61) BPTFMLYCDNOTUM
SCHEMBL6488653 0.80 NOTUM (0.60) BPTFKHKHRH4NOTUM
SCHEMBL21460258 0.80 KHK (0.47) BPTFKHKHTR2BHRH4VCP

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 12 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
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-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 BPTF 3496/4885KHK 2931/4885HTR2B 666/4885
US-20040171639-A1 Heterocyclic ureas, their preparation and their use as vanilloid receptor antagonists TRPV1, UTS2R, GPR17 BPTF 3932/4885KHK 2636/4885HTR2B 395/4885

“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.