SCHEMBL31209005

SCHEMBL31209005

OCCN1CCN([C@@H]2CCNC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 3/20 0.35
PKM P14618 1/20 0.35
SLC18A3 Q16572 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD11B1 P28845 1/20 0.32
KHK P50053 2/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31

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
SCHEMBL12120282 1.00 HTR6 (0.43) HTR6ALDH1A1KDM4EKMT2APKM
Bromide SCHEMBL1307212 0.98 HTR6 (0.42) HTR6ALDH1A1KDM4EKMT2APKM
SCHEMBL2226268 0.89 KDM4E (0.39) ALDH1A1KDM4EKMT2APKMSLC18A3
Hydrochloric Acid SCHEMBL12806190 0.87 KDM4E (0.38) ALDH1A1KDM4EKMT2APKMSLC18A3
SCHEMBL23269702 0.86 KDM4E (0.37) ALDH1A1KDM4EKMT2APKMSLC18A3
SCHEMBL3957401 0.85 KDM4E (0.42) ALDH1A1KDM4EKMT2APKMSLC18A3
SCHEMBL639712 0.82 HTR6 (0.43) HTR6ALDH1A1SMN1; SMN2KHK
SCHEMBL639711 0.82 HTR6 (0.43) HTR6ALDH1A1SMN1; SMN2KHK
SCHEMBL31209974 0.78 HTR6 (0.40) HTR6KMT2AHSD11B1KHKMEN1
SCHEMBL20577428 0.78 HTR6 (0.46) HTR6KHK

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-20240368193-A1 KRAS INHIBITORS ELI LILLY AND COMPANY 2024-11-07 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-20240368193-A1 KRAS INHIBITORS KRAS, NRAS, HRAS HTR6 4845/4885ALDH1A1 2134/4885KDM4E 2107/4885

“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.