SCHEMBL24090486

SCHEMBL24090486

CCC[C@H]1CS(=O)(=O)c2cc(C#N)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
PDE9A O76083 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 2/20 0.33
GRM2 Q14416 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL7424900 0.80 PPARA (0.45) PPARDPPARAKMT2ATSHR
SCHEMBL15491211 0.78 CHRNA1 (0.37) SLC6A4CA9CHRNA1CHRNGCHRNB1
SCHEMBL19695677 0.78 CHRNA1 (0.37) SLC6A4CA9CHRNA1CHRNGCHRNB1
SCHEMBL24075854 0.78 CHRNA1 (0.37) SLC6A4CA9CHRNA1CHRNGCHRNB1
SCHEMBL19478834 0.78 SLC6A4 (0.36) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL24090485 0.75 CHRNA1 (0.36) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL8255489 0.75 VEGFA (0.42) SLC6A4CA9CHRNA1CHRNGCHRNB1
SCHEMBL10210657 0.71 CHRNA1 (0.38) SLC6A4CA9CHRNA1CHRNGCHRNB1
SCHEMBL10444095 0.70 CA1 (0.36) CA1CA2CA9CHRNA1CHRNG
SCHEMBL19487320 0.70 SLC6A4 (0.33) SLC6A4CHRNA1CHRNGCHRNB1CHRNB2

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-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-09 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-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS AADAC, HNMT, HRH4 SLC6A4 3257/4885CA1 524/4885CA2 263/4885

“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.