SCHEMBL12359221

SCHEMBL12359221

CC(O)c1ccccc1-c1ccc2[nH]c(-c3ccc(OCC(F)(F)C(F)(F)F)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.42
▸ ACHE P22303 3/20 0.42
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 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
SCHEMBL12359263 0.92 SCD (0.47) SCDTRPV1ACHECHRNB4CHRNA3
SCHEMBL1796058 0.87 TRPV1 (0.44) SCDTRPV1ACHESCN5ASCN9A
SCHEMBL1798091 0.87 TRPV1 (0.44) SCDTRPV1NPC1RAB9ASMN1; SMN2
SCHEMBL1800184 0.86 TRPV1 (0.62) TRPV1ATP4AATP4B
SCHEMBL1800182 0.86 TRPV1 (0.62) TRPV1ATP4AATP4B
SCHEMBL12363936 0.84 TRPV1 (0.46) SCDTRPV1ACHECHRNB4CHRNA3
SCHEMBL1796849 0.84 TRPV1 (0.38) SCDTRPV1ACHESCN5ASCN9A
SCHEMBL12359202 0.83 TRPV1 (0.44) SCDTRPV1ACHECHRNB4CHRNA3
SCHEMBL12359272 0.83 HDAC3 (0.43) TRPV1ACHEHDAC3HDAC4HDAC1
SCHEMBL12358844 0.82 SCN5A (0.40) SCDACHECHRNB4CHRNA3CHRNA7

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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA N.V. (BE) 2011-08-04 — — 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-20110190344-A1 BENZIMIDAZOLE MODULATORS OF VR1 VRK1, VRK2, VIL1 SCD 4754/4885TRPV1 29/4885ACHE 4652/4885

“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.

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