SCHEMBL20009004

SCHEMBL20009004

CC(C)N1CCN(Cc2nccn2C)[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
GSK3B P49841 1/20 0.34
GAA P10253 1/20 0.34
SLC6A9 P48067 2/20 0.33
OPRK1 P41145 1/20 0.33
KAT2B Q92831 1/20 0.33
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
DRD4 P21917 2/20 0.32
MC4R P32245 1/20 0.32
FDPS P14324 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGLN1 Q9GZT9 2/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL20009033 1.00 ALDH1A1 (0.35) ALDH1A1LMNAGSK3BGAASLC6A9
SCHEMBL20012529 0.83 KAT2B (0.35) ALDH1A1LMNAGSK3BKAT2BARG1
SCHEMBL26241586 0.83 KAT2B (0.35) ALDH1A1LMNAGSK3BKAT2BARG1
SCHEMBL26241549 0.83 KAT2B (0.35) ALDH1A1LMNAGSK3BKAT2BARG1
SCHEMBL20012734 0.80 ALDH1A1 (0.41) ALDH1A1LMNAGAAKAT2BARG1
SCHEMBL20012866 0.78 HTR1A (0.31) ALDH1A1LMNANPSR1
SCHEMBL18705086 0.77 EGLN1 (0.44) ALDH1A1POLBNPSR1L3MBTL1EGLN1
SCHEMBL9963404 0.73 LMNA (0.45) ALDH1A1LMNASLC6A9DRD4POLB
SCHEMBL9963401 0.73 LMNA (0.45) ALDH1A1LMNASLC6A9DRD4POLB
SCHEMBL17896402 0.72 MAP4K4 (0.47) OPRK1KAT2BMC4RFDPSTSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 ALDH1A1 3032/4885LMNA 1055/4885GSK3B 2428/4885

“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.