SCHEMBL21137552

SCHEMBL21137552

CC(C)(C)C(=O)N1CC2(CCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
EPHX2 P34913 1/20 0.37
RORC P51449 1/20 0.36
RIPK1 Q13546 1/20 0.35
CYP2D6 P10635 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM5 P41594 1/20 0.34
CYP3A4 P08684 8/20 0.34
HIF1A Q16665 1/20 0.34
TSHR P16473 4/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 1/20 0.33
SPR P35270 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL18702133 0.96 HSD11B1 (0.44) HSD11B1EPHX2RORCRIPK1CYP2D6
SCHEMBL21991871 0.94 HSD11B1 (0.46) HSD11B1EPHX2RORCRIPK1CYP2D6
SCHEMBL18702006 0.82 HSD11B1 (0.59) HSD11B1EPHX2CYP2D6CYP2C9CYP1A2
SCHEMBL18701822 0.82 HSD11B1 (0.48) HSD11B1EPHX2RIPK1CYP2D6CYP2C9
SCHEMBL20469388 0.82 VNN1 (0.40) EPHX2USP2
SCHEMBL31575292 0.77 LMNA (0.40) HSD11B1EPHX2RIPK1CYP1A2GRM5
SCHEMBL18702012 0.77 EPHX2 (0.33) HSD11B1EPHX2RIPK1
SCHEMBL18701846 0.77 HSD11B1 (0.50) HSD11B1EPHX2RIPK1CYP2D6CYP2C9
SCHEMBL12208870 0.77 EPHX2 (0.33) HSD11B1EPHX2RIPK1SPR
SCHEMBL18701825 0.77 HSD11B1 (0.46) HSD11B1EPHX2RIPK1CYP2D6CYP2C9

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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-10329278-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2019-06-25 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 (2 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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 HSD11B1 23/4885EPHX2 2906/4885RORC 3328/4885
US-10329278-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 HSD11B1 1419/4885EPHX2 1493/4885RORC 570/4885

“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.