SCHEMBL21886902

SCHEMBL21886902

COC(=O)C(CCCOC1CCCCO1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 2/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 1/20 0.40
DHFR P00374 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL21886901 0.86 MEN1 (0.49) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL9860360 0.85 MEN1 (0.54) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL22504269 0.84 KMT2A (0.52) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL21326182 0.84 CHRM2 (0.43) SLC6A3MEN1KMT2AALDH1A1LMNA
SCHEMBL21374326 0.83 MEN1 (0.49) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL8486775 0.81 SLC6A3 (0.60) SLC6A3MEN1KMT2ASLC6A2SLC6A4
SCHEMBL17846111 0.78 MEN1 (0.48) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL5725637 0.78 MEN1 (0.50) SLC6A3MEN1KMT2ATDP1KDM4C
SCHEMBL22494465 0.78 MEN1 (0.43) SLC6A3MEN1KMT2AADORA3
SCHEMBL9306096 0.77 MEN1 (0.47) SLC6A3MEN1KMT2AKDM4CADORA3

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-10604517-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-03-31 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-10604517-B2 Bridged piperidine derivatives HPGDS, APP, PSEN1 SLC6A3 1395/4885MEN1 2472/4885KMT2A 1370/4885

“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.