SCHEMBL20878452

SCHEMBL20878452

COCC[C@@H]1CCCN1C(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 1/20 0.35
▸ CASP1 P29466 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CHRNB4 P30926 2/20 0.31
▸ CHRNA3 P32297 2/20 0.31
▸ SLC2A1 P11166 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
SCHEMBL25776297 0.90 — —
SCHEMBL1106480 0.82 CHRM3 (0.41) CHRM3CASP3CHRNB4CHRNA3
SCHEMBL57317 0.82 CHRM3 (0.41) CHRM3CASP3CHRNB4CHRNA3
SCHEMBL278415 0.82 CHRM3 (0.41) CHRM3CASP3CHRNB4CHRNA3
SCHEMBL13910186 0.80 CHRM3 (0.34) CHRM3
SCHEMBL18596039 0.80 CHRM3 (0.34) CHRM3
SCHEMBL26724276 0.79 TSHR (0.34) CHRM3SLC2A1
SCHEMBL24599464 0.78 CHRM3 (0.33) CHRM3
SCHEMBL3977447 0.78 CHRM3 (0.33) CHRM3
SCHEMBL29174460 0.78 CHRM3 (0.33) CHRM3

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-10253018-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-04-09 — — 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-10253018-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, CASP1, BAX CHRM3 3721/4885CASP1 2/4885CASP3 10/4885

“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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