SCHEMBL26137458

SCHEMBL26137458

C#[N+][C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccccc3Cl)c2F)NC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 6/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL20329698 0.86 CFD (0.40) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL22355134 0.86 CFD (0.40) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL23308856 0.84 CFD (0.38) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL20329519 0.84 CFD (0.39) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL18572757 0.84 CHRM1 (0.42) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL22355131 0.84 CHRM1 (0.42) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL24093944 0.82 CFD (0.35) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL25097198 0.82 CFD (0.35) CFDCHRM1CHRM2CHRM3MEN1
SCHEMBL18590935 0.81 ROCK2 (0.49) CFDCHRM1CHRM2CHRM3CYP2C19
SCHEMBL18572835 0.81 ROCK2 (0.49) CFDCHRM1CHRM2CHRM3CYP2C19

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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 — — 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-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH CFD 1/4885CHRM1 4424/4885CHRM2 4503/4885

“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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