SCHEMBL18910654

SCHEMBL18910654

CC(C)c1nccc(CC(C)c2cnccn2)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.32
▸ CYP2D6 P10635 2/20 0.30
▸ HRH1 P35367 2/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30

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
SCHEMBL20832578 0.82 — —
SCHEMBL22725661 0.81 TSHR (0.38) CYP2D6KCNH2
SCHEMBL29332959 0.79 ALDH1A1 (0.31) —
SCHEMBL20756637 0.78 ESR1 (0.36) —
SCHEMBL23661740 0.77 ESR1 (0.37) HRH4
SCHEMBL26396496 0.77 CYP2D6 (0.32) CYP2D6HRH1CHRM1KCNH2
SCHEMBL21653566 0.77 SMN1; SMN2 (0.33) CYP2D6KCNH2
SCHEMBL22725519 0.76 — —
SCHEMBL19919582 0.76 APLNR (0.36) HRH4
SCHEMBL18559669 0.76 NOS3 (0.35) HRH4

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-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS ELI LILLY AND COMPANY 2017-06-01 — — 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-20170151248-A1 USE OF TRPA1 ANTAGONISTS TO PREVENT OR TREAT INFECTIONS CAUSED BY BIOLOGICAL-WARFARE AGENTS TRPA1, TRPV1, TRPV2 HRH4 367/4885CYP2D6 2910/4885HRH1 213/4885

“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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