SCHEMBL23916695

SCHEMBL23916695

CC(C)OCc1ccc(N2CCN(C)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
MAPT P10636 3/20 0.40
HTR3A P46098 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRA2C P18825 1/20 0.39
GFER P55789 1/20 0.39
PTK2B Q14289 1/20 0.39
ESR2 Q92731 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
CCNK O75909 1/20 0.38
CCND3 P30281 1/20 0.38
CDK9 P50750 1/20 0.38
CDK6 Q00534 1/20 0.38

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
SCHEMBL19251586 0.79 KDM4E (0.49) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL27306266 0.77 MAPT (0.45) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL29493254 0.77 MAPT (0.49) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL30922297 0.77 CHKA (0.51) HRH3MAPTHTR3AGAAKMT2A
SCHEMBL733436 0.77 MAPT (0.45) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL28943557 0.77 MAPT (0.49) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL21414319 0.76 MAPT (0.44) HRH3MAPTHTR3AGAAKMT2A
SCHEMBL20116508 0.73 MAPT (0.40) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL27788009 0.72 CHEK1 (0.45) MAPTHTR3AGAAKMT2AMEN1
SCHEMBL10255132 0.72 MAPT (0.46) MAPTHTR3AGAAKMT2AMEN1

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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER ARAXES PHARMA LLC (US) 2021-10-14 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-20210317127-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS HRH3 3839/4885MAPT 4809/4885HTR3A 3961/4885

“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.