SCHEMBL4938159

SCHEMBL4938159

CCOC(=O)C1=C(c2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)C(F)(F)CN(Cc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 10/20 0.40
CHRM1 P11229 10/20 0.40
CHRM2 P08172 8/20 0.40
CHRM4 P08173 8/20 0.40
CHRM3 P20309 8/20 0.40
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP3 P42574 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ADORA1 P30542 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34

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
SCHEMBL4598320 0.78 CHRM5 (0.38) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL2274453 0.72 CASP3 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4934280 0.71 NR1H2 (0.41) ADORA1ALDH1A1
SCHEMBL4939031 0.69 REN (0.44)
Tetrahydrofuran SCHEMBL15556365 0.69 CASP3 (0.42) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL4598439 0.68 CASP3 (0.41) CHRM5CHRM1CHRM2CHRM4CHRM3
Alcohol SCHEMBL8697373 0.67 IDO1 (0.47) CHRM1CHRM2MEN1KMT2ALMNA
SCHEMBL4938707 0.67 NR1H2 (0.37) PKM
SCHEMBL2252126 0.67 IDO1 (0.53) MEN1KMT2ALMNAL3MBTL1POLB
SCHEMBL2910520 0.67 LMNA (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3

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-20080234305-A1 Novel Tetrahydropyridine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-25 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-20080234305-A1 Novel Tetrahydropyridine Derivatives REN, AGTR1, CBR1 CHRM5 30/4885CHRM1 13/4885CHRM2 34/4885

“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.