SCHEMBL4509928

SCHEMBL4509928

COc1nc(N2CCC(N)CC2)ccc1Cl

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
SUV39H2 Q9H5I1 9/20 0.47
HRH3 Q9Y5N1 1/20 0.47
PTPN11 Q06124 1/20 0.41
KDM1A O60341 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
PRKAB2 O43741 5/20 0.38

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
SCHEMBL3821296 0.79 HTR3E (0.43) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL16422608 0.79 HTR3E (0.51) HTR3EMEN1HTR3BCYP1A2HTR3A
SCHEMBL2414036 0.75 HRH4 (0.47) SUV39H2HRH3MAP4K4
SCHEMBL3821841 0.73 HTR3E (0.54) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL4490992 0.73 HTR3E (0.43) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL3826847 0.73 HTR3E (0.60) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL30079474 0.72 HRH3 (0.42) HTR3EMEN1HTR3BCYP1A2CYP2D6
SCHEMBL25334289 0.72 OGA (0.47) MEN1TSHRKMT2AHRH3
Hydrochloric Acid SCHEMBL11292628 0.72 HTR3E (0.59) HTR3EMEN1HTR3BCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2004943 0.71 HRH3 (0.49) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.