SCHEMBL5116242

SCHEMBL5116242

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ncnc2c1CC(O)CC2

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.63
KDR P35968 12/20 0.55
TOP2B Q02880 1/20 0.52
KIT P10721 2/20 0.51
BRAF P15056 3/20 0.50
MET P08581 1/20 0.49
RET P07949 1/20 0.49
NTRK1 P04629 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
FLT3 P36888 1/20 0.47

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
SCHEMBL5115369 0.85 TRPV1 (0.70) TRPV1KDRBRAFFLT3
SCHEMBL5139603 0.85 TRPV1 (0.70) TRPV1KDRBRAF
SCHEMBL5118697 0.80 TRPV1 (0.76) TRPV1KDR
SCHEMBL5130375 0.78 TRPV1 (0.60) TRPV1KDRBRAF
SCHEMBL5017591 0.78 TRPV1 (0.71) TRPV1KDRBRAF
SCHEMBL4335739 0.77 TRPV1 (1.00) TRPV1KDR
SCHEMBL4332089 0.77 TRPV1 (1.00) TRPV1KDR
SCHEMBL4343306 0.77 TRPV1 (1.00) TRPV1KDR
SCHEMBL5124522 0.77 MGLL (0.50) TRPV1KDRKITRETFLT3
SCHEMBL13613620 0.77 TRPV1 (0.71) TRPV1KDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 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-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 TRPV1 10/4885KDR 1224/4885TOP2B 1967/4885

“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.