SCHEMBL4499542

SCHEMBL4499542

Cc1cc(C(F)(F)F)cc(N2CCC(N)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.43
KDM1A O60341 1/20 0.41
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 2/20 0.40
ACACB O00763 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
POLQ O75417 2/20 0.40
SSTR2 P30874 2/20 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
SCHEMBL3827249 0.92 HRH4 (0.51) IDH2HRH4HRH3ACACBPOLQ
SCHEMBL3827250 0.92 HRH4 (0.51) IDH2HRH4HRH3ACACBPOLQ
SCHEMBL4476424 0.85 HRH3 (0.58) HRH4HRH3ACACBPOLQSYK
SCHEMBL30475258 0.83 CRHBP (0.51) HRH4KCNH2ACACBMEN1KMT2A
SCHEMBL2070887 0.81 KDM4E (0.58) IDH2ACACBMEN1KMT2ATSHR
SCHEMBL3326219 0.79 ADRB1 (0.57) IDH2HRH4KCNH2HTR3EHTR3B
SCHEMBL30475275 0.78 KDM4E (0.50) ACACBMEN1KMT2ACYP1A2CYP2D6
SCHEMBL12452908 0.76 HRH3 (0.50) HRH4HRH3KCNH2MEN1KMT2A
SCHEMBL30475250 0.76 NOTUM (0.55) IDH2ACACBMEN1KMT2AALDH1A1
SCHEMBL29442417 0.75 HRH3 (0.71) HRH4HRH3CRHBPCRHR2SMN1; SMN2

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 IDH2 2292/4885KDM1A 2243/4885HRH4 92/4885

“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.