SCHEMBL16216260

SCHEMBL16216260

N#Cc1ccc(N[C@H]2CCCC[C@@H]2N)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.57
▸ AR P10275 16/20 0.47
▸ CNR2 P34972 1/20 0.44
▸ SLC22A12 Q96S37 1/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL15012028 1.00 TRPA1 (0.57) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL15012027 1.00 TRPA1 (0.57) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL16216532 0.99 TRPA1 (0.56) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL16219513 0.99 TRPA1 (0.56) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL15970604 0.81 FER (0.41) TRPA1
SCHEMBL20274107 0.81 TRPA1 (0.61) TRPA1ARCNR2
SCHEMBL29666012 0.79 TRPA1 (0.53) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL15014051 0.79 TRPA1 (0.48) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL15014053 0.79 TRPA1 (0.48) TRPA1ARCNR2SLC22A12TAS2R14
SCHEMBL15014050 0.79 TRPA1 (0.48) TRPA1ARCNR2SLC22A12TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329858-A1 Cyclic Urea Derivatives As Androgen Receptor Antagonists NOVARTIS AG (CH) 2014-11-06 — — US disclosed
US-20140329858-A1 Cyclic Urea Derivatives As Androgen Receptor Antagonists NOVARTIS AG (CH) 2014-11-06 — — 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-20140329858-A1 Cyclic Urea Derivatives As Androgen Receptor Antagonists AR, UTS2R, FSHR TRPA1 2395/4885AR 1/4885CNR2 313/4885

“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.

Send feedback