SCHEMBL21886901

SCHEMBL21886901

NNC(=O)C(CCCOC1CCCCO1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A3 Q01959 2/20 0.41
KDM4C Q9H3R0 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 4/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
CTSD P07339 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
HTT P42858 1/20 0.34
ADORA3 P0DMS8 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
SCHEMBL21374326 0.98 MEN1 (0.49) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL21886902 0.86 SLC6A3 (0.53) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL22504269 0.85 KMT2A (0.52) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL9860360 0.84 MEN1 (0.54) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL21326189 0.84 MEN1 (0.41) MEN1KMT2AALDH1A1
SCHEMBL18614980 0.83 MEN1 (0.41) MEN1KMT2AKDM4C
SCHEMBL22494473 0.79 MEN1 (0.43) MEN1KMT2AKDM4C
SCHEMBL17846111 0.77 MEN1 (0.48) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL5725637 0.77 MEN1 (0.50) MEN1KMT2ASLC6A3KDM4CTDP1
SCHEMBL17846053 0.74 MEN1 (0.49) MEN1KMT2ASLC6A3KDM4CTDP1

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 MEN1 2472/4885KMT2A 1370/4885SLC6A3 1395/4885

“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.