SCHEMBL19798891

SCHEMBL19798891

CC(C)[C@@H]1C[C@H](C)CN(CC2CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
KDM2B Q8NHM5 2/20 0.35
SCN1A P35498 1/20 0.35
SCN4A P35499 1/20 0.35
SCN7A Q01118 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN11A Q9UI33 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
OPRK1 P41145 2/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRL1 P41146 1/20 0.32
HRH4 Q9H3N8 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL19798890 1.00 ACHE (0.36) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL19798879 1.00 ACHE (0.36) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL19798888 1.00 ACHE (0.36) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL24843742 0.84 SCN1A (0.42) ACHESCN1ASCN4ASCN7AKCNH2
SCHEMBL19799016 0.82 ACHE (0.45) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL19799009 0.82 ACHE (0.45) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL21120575 0.82 ACHE (0.45) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL19799007 0.82 ACHE (0.45) ACHEKDM2BSCN1ASCN4ASCN7A
SCHEMBL19798944 0.80 KDM2B (0.37) KDM2BSCN1ASCN4ASCN7AKCNH2
SCHEMBL19798936 0.80 KDM2B (0.37) KDM2BSCN1ASCN4ASCN7AKCNH2

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-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-25 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-20180022727-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, KDM6B, KDM2B ACHE 2492/4885KDM2B 3/4885SCN1A 2558/4885

“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.