SCHEMBL3827249

SCHEMBL3827249

Cc1cc(C(F)(F)F)cc(N2CC[C@@H](N)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.51
HRH3 Q9Y5N1 4/20 0.48
SYK P43405 2/20 0.45
ACACB O00763 1/20 0.41
MCHR1 Q99705 1/20 0.40
IDH2 P48735 2/20 0.39
POLQ O75417 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
SCHEMBL3827250 1.00 HRH4 (0.51) HRH4HRH3SYKACACBMCHR1
SCHEMBL4499542 0.92 IDH2 (0.43) HRH4HRH3SYKACACBIDH2
SCHEMBL4476424 0.88 HRH3 (0.58) HRH4HRH3SYKACACBPOLQ
SCHEMBL30475275 0.81 KDM4E (0.50) ACACBPOLQ
SCHEMBL30475250 0.79 NOTUM (0.55) ACACBIDH2
SCHEMBL10169427 0.78 HRH3 (0.55) HRH4HRH3
SCHEMBL30475258 0.77 CRHBP (0.51) HRH4ACACB
SCHEMBL1352123 0.76 ADRB1 (0.57) HRH4HRH3SYKACACBIDH2
SCHEMBL1352121 0.76 ADRB1 (0.57) HRH4HRH3SYKACACBIDH2
SCHEMBL5086363 0.76 ADRB1 (0.57) HRH4HRH3SYKACACBIDH2

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 4 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
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 HRH4 92/4885HRH3 234/4885SYK 3087/4885

“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.