SCHEMBL5118697

SCHEMBL5118697

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1cncc2c1CC(O)CC2

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.76
KDR P35968 3/20 0.54
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
RAF1 P04049 1/20 0.45

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
SCHEMBL4332089 0.86 TRPV1 (1.00) TRPV1KDR
SCHEMBL4343306 0.86 TRPV1 (1.00) TRPV1KDR
SCHEMBL4335739 0.86 TRPV1 (1.00) TRPV1KDR
SCHEMBL5017591 0.81 TRPV1 (0.71) TRPV1KDRMAPTCA1CA2
SCHEMBL5139603 0.81 TRPV1 (0.70) TRPV1KDRMAPT
SCHEMBL5115369 0.81 TRPV1 (0.70) TRPV1KDRRAF1
SCHEMBL5123803 0.80 TRPV1 (0.85) TRPV1KDR
SCHEMBL13613620 0.80 TRPV1 (0.71) TRPV1KDRMAPTCA9
SCHEMBL13613619 0.80 TRPV1 (0.71) TRPV1KDRMAPTCA1CA2
SCHEMBL5116242 0.80 TRPV1 (0.63) TRPV1KDR

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 1224/4885MAPT 949/4885

“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.