SCHEMBL20009110

SCHEMBL20009110

CC(C)N1CCC(c2cnn(C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
KDM4A O75164 1/20 0.46
KDM4B O94953 1/20 0.46
KDM5C P41229 1/20 0.46
KDM5B Q9UGL1 1/20 0.46
HSD11B1 P28845 1/20 0.41
KCNH2 Q12809 1/20 0.40
SPR P35270 1/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
USP30 Q70CQ3 1/20 0.38
TLR9 Q9NR96 6/20 0.36
TLR8 Q9NR97 6/20 0.36
TLR7 Q9NYK1 6/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
KDM1A O60341 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
SCHEMBL16131370 0.81
SCHEMBL25048372 0.77 CREBBP (0.44) HRH3HSD11B1SPRUSP30HCAR2
SCHEMBL25731550 0.77 HSD11B1 (0.44) HRH3HSD11B1SPRUSP30HCAR2
SCHEMBL29338117 0.77 HSD11B1 (0.44) HRH3KDM4AKDM4BKDM5CKDM5B
SCHEMBL23108063 0.77 HSD11B1 (0.44) HRH3KDM4AKDM4BKDM5CKDM5B
SCHEMBL16218242 0.77 HRH3 (0.44) HRH3KDM4AKDM4BKDM5CKDM5B
SCHEMBL21064698 0.76 KDM4A (0.46) HRH3KDM4AKDM4BKDM5CKDM5B
SCHEMBL21733885 0.76 CREBBP (0.45) HSD11B1SPRUSP30HCAR2
SCHEMBL19868909 0.75 HRH3 (0.39) HRH3HSD11B1SPRUSP30HCAR2
SCHEMBL26161869 0.73 DRD3 (0.49) HRH3SPRTLR9TLR8TLR7

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 HRH3 203/4885KDM4A 1186/4885KDM4B 1082/4885

“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.