SCHEMBL4475102

SCHEMBL4475102

Cc1nc(N2CC(N)C2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
HRH4 Q9H3N8 4/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ADRB2 P07550 1/20 0.38
RBP4 P02753 3/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MAPT P10636 2/20 0.33
GRIN2B Q13224 1/20 0.33
METAP2 P50579 2/20 0.33
SYK P43405 1/20 0.33
EIF2AK4 Q9P2K8 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3825636 0.88 HRH4 (0.48) HRH3HRH4NR1H2NR1H3PIM1
SCHEMBL3825643 0.88 HRH4 (0.48) HRH3HRH4NR1H2NR1H3PIM1
SCHEMBL3820827 0.85 CYP1A2 (0.47) HRH3HRH4NR1H2NR1H3ADRB2
SCHEMBL17537344 0.79 ADRB2 (0.48) NR1H2NR1H3ADRB2MAPTCYP1A2
SCHEMBL23779477 0.78 ADRB2 (0.47) NR1H2NR1H3ADRB2MAPTCYP1A2
SCHEMBL21181781 0.78 ADRB2 (0.47) NR1H2NR1H3ADRB2MAPTCYP1A2
SCHEMBL17537350 0.76 MBOAT4 (0.41) NR1H2NR1H3ADRB2RBP4MAPT
SCHEMBL21181747 0.76 MAP4K4 (0.48) NR1H2NR1H3ADRB2PIM1PIM2
SCHEMBL12946112 0.75 CNR2 (0.50) ADRB2MAPTCYP1A2CYP2C19SMN1; SMN2
SCHEMBL17537345 0.75 NR3C2 (0.47) NR1H2NR1H3SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US claimed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP claimed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 WO claimed
US-7514562-B2 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2009-04-07 US disclosed
US-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain GLAXO GROUP LIMITED (GB) 2006-12-07 US disclosed
EP-1601665-A2 UREA DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-12-07 EP disclosed
WO-2004078744-A2 UREA DERIVATIVES AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS IN THE TREATMENT OF PAIN GLAXO GROUP LIMITED (GB) 2004-09-16 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-20060276447-A1 Urea derivatives and their use as vanilloid receptor antagonists in the treatment of pain TRPV1, UTS2R, OPRL1 HRH3 208/4885HRH4 66/4885NR1H2 734/4885

“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.