SCHEMBL21859062

SCHEMBL21859062

CCn1cc(C(=O)N2C3CCC2COC3)c(=O)c2cc(Cl)ncc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.38
USP2 O75604 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 3/20 0.36
PIK3CG P48736 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL24037478 0.88 LMNA (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30777011 0.83 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL24037432 0.83 ALDH1A1 (0.36) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL8203304 0.81 USP2 (0.58) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL21859019 0.80 TSHR (0.46) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL21859028 0.80 PRMT5 (0.42) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL24037426 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL30777003 0.79 ALDH1A1 (0.39) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL20241012 0.78 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL24037511 0.77 PRMT5 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA

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-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof BIONOMICS LIMITED (AU) 2021-11-18 US disclosed
WO-2020077414-A1 CYCLIC COMPOUNDS AS RECEPTOR MODULATING THERAPEUTICS AND METHODS AND USES THEREOF BIONOMICS LIMITED (AU) 2020-04-23 WO 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-20210355124-A1 Cyclic compounds as receptor modulating therapeutics and methods and uses thereof CHRNA7, CHRNA1, CHRNA5 KDM4E 3556/4885ALDH1A1 832/4885HPGD 496/4885

“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.