SCHEMBL23312349

SCHEMBL23312349

CC[C@@H](Cl)C(=O)N1CCc2ccc(C#N)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.45
FPR2 P25090 6/20 0.45
TP53 P04637 2/20 0.43
NOTUM Q6P988 1/20 0.42
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
RGS12 O14924 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
THPO P40225 1/20 0.39
GNAI1 P63096 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL2210350 0.79 NOTUM (0.61) NOTUMKDM4EALDH1A1LMNAHPGD
SCHEMBL13733077 0.79 XIAP (0.57) FPR1FPR2NOTUMXIAPBIRC2
SCHEMBL13733075 0.79 XIAP (0.57) FPR1FPR2NOTUMXIAPBIRC2
SCHEMBL23312350 0.77 XIAP (0.55) XIAPBIRC2
SCHEMBL3457121 0.76 TP53 (0.45) FPR1FPR2TP53NOTUMDRD2
SCHEMBL21425395 0.72 CYP11B1 (0.48) FPR1FPR2TP53NOTUMMAPK1
SCHEMBL3457235 0.69 NOTUM (0.65) TP53NOTUMKDM4EMEN1ALDH1A1
SCHEMBL26982503 0.68 FPR1 (0.66) FPR1FPR2
SCHEMBL27125569 0.68 FPR1 (0.66) FPR1FPR2
SCHEMBL14578480 0.68 DRD2 (0.42) DRD2DRD3MAPK1HSD17B10MEN1

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-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2021-04-29 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-20210122749-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNB1, CCNE1 FPR1 1375/4885FPR2 2829/4885TP53 43/4885

“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.