SCHEMBL5130076

SCHEMBL5130076

O=C(Nc1cccc2c1C[C@H](O)CC2)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.59
RXFP1 Q9HBX9 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PTGS1 P23219 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PTGES O14684 1/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL4336802 0.86 TRPV1 (0.70) TRPV1MEN1KMT2AOPRM1
SCHEMBL5981392 0.81 TRPV1 (0.56) TRPV1L3MBTL1PTGS1
SCHEMBL5128512 0.81 TRPV1 (0.56) TRPV1L3MBTL1PTGS1
SCHEMBL13613639 0.80 TRPV1 (0.60) TRPV1OPRM1
SCHEMBL5140503 0.80 RAB9A (0.56) TRPV1MEN1KMT2A
SCHEMBL2363868 0.78 TRPV1 (0.59) TRPV1
SCHEMBL3699335 0.78 TRPV1 (0.59) TRPV1
SCHEMBL3410678 0.78 TRPV1 (0.59) TRPV1
SCHEMBL207450 0.77 TRPV1 (0.69) TRPV1RXFP1OPRM1
SCHEMBL4377235 0.76 TRPV1 (0.60) TRPV1

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 1 patent. 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

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 10/4885RXFP1 180/4885L3MBTL1 3579/4885

“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.