SCHEMBL3821841

SCHEMBL3821841

NC1CCN(c2ccc(Cl)c(C(F)(F)F)n2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.54
MEN1 O00255 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
NFKB1 P19838 1/20 0.54
HTR3A P46098 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
HRH3 Q9Y5N1 2/20 0.47
ACACB O00763 2/20 0.44
PTPN11 Q06124 4/20 0.41
ADRB2 P07550 1/20 0.40
SLC34A1 Q06495 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL4504026 0.92 ACACB (0.48) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL4504023 0.92 ACACB (0.48) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL3821840 0.85 ACACB (0.44) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL18908932 0.85 ACACB (0.47) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL23762505 0.83 ACACB (0.45) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL4509928 0.73 HTR3E (0.54) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL3820827 0.73 CYP1A2 (0.47) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL30455678 0.73 ACACB (0.40) ACACB
SCHEMBL3820910 0.73 GRM2 (0.45) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL1351805 0.73 HTR3E (0.60) HTR3EMEN1HTR3BCYP1A2CYP2D6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603899-B1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LTD (GB) 2009-08-26 EP disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1603899-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2005-12-14 EP disclosed
WO-2004078749-A1 HETEROCYCLIC UREA DERIVATIVES FOR THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO 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

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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ HTR3E 2441/4885MEN1 3230/4885HTR3B 1829/4885

“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.