SCHEMBL2118730

SCHEMBL2118730

O=C(N[C@H]1CCCC[C@H]1O)c1onc(-c2ccc(Cl)c(F)c2)c1Cl

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.71
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NTRK1 P04629 2/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
CHRM1 P11229 1/20 0.40
GABRA5 P31644 3/20 0.40

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
SCHEMBL2118735 1.00 TRPV1 (0.71) TRPV1HDAC4HDAC6NTRK1CNR1
SCHEMBL10068661 1.00 TRPV1 (0.71) TRPV1HDAC4HDAC6NTRK1CNR1
SCHEMBL2118737 1.00 TRPV1 (0.71) TRPV1HDAC4HDAC6NTRK1CNR1
SCHEMBL10068660 0.88 TRPV1 (0.56) TRPV1HDAC4HDAC6CNR1TAS1R3
SCHEMBL2118506 0.88 TRPV1 (0.56) TRPV1HDAC4HDAC6CNR1TAS1R3
SCHEMBL2118948 0.88 TRPV1 (0.56) TRPV1HDAC4HDAC6CNR1TAS1R3
SCHEMBL2118943 0.88 TRPV1 (0.56) TRPV1HDAC4HDAC6CNR1TAS1R3
SCHEMBL2117764 0.83 TRPV1 (1.00) TRPV1
SCHEMBL2118642 0.76 TRPV1 (0.58) TRPV1CNR2PDE4APDE4BPDE4C
SCHEMBL1686583 0.73 TRPV1 (0.72) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US claimed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP claimed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 WO claimed
US-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2012-04-19 US disclosed
EP-2393788-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. Organon (NL) 2011-12-14 EP disclosed
WO-2010089297-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES N.V. ORGANON (NL) 2010-08-12 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-20120095002-A1 ISOXAZOLE-5-CARBOXAMIDE DERIVATIVES TRPV1, TRPV5, P2RX5 TRPV1 1/4885HDAC4 879/4885HDAC6 228/4885

“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.