SCHEMBL18702006

SCHEMBL18702006

CC(C)(C)C(=O)N1CCC2(CCCC2)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.59
EPHX2 P34913 1/20 0.46
USP2 O75604 2/20 0.44
GRM5 P41594 1/20 0.42
SPR P35270 4/20 0.40
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL18701846 0.92 HSD11B1 (0.50) HSD11B1EPHX2USP2SPRCYP2D6
SCHEMBL18701822 0.89 HSD11B1 (0.48) HSD11B1EPHX2USP2GRM5SPR
SCHEMBL18701825 0.88 HSD11B1 (0.46) HSD11B1EPHX2USP2CYP2D6CYP2C9
SCHEMBL18702133 0.86 HSD11B1 (0.44) HSD11B1EPHX2USP2GRM5SPR
SCHEMBL22959553 0.85 HSD11B1 (0.46) HSD11B1EPHX2USP2SPRCYP2D6
SCHEMBL21991871 0.84 HSD11B1 (0.46) HSD11B1EPHX2GRM5SPRCYP2D6
SCHEMBL23724098 0.84 CYP1A2 (0.47) HSD11B1EPHX2CYP2D6CYP1A2CYP3A4
SCHEMBL18701923 0.84 HSD11B1 (0.44) HSD11B1EPHX2SPR
SCHEMBL21137552 0.82 HSD11B1 (0.41) HSD11B1EPHX2USP2GRM5SPR
SCHEMBL18702003 0.81 USP2 (0.45) HSD11B1EPHX2USP2SPRCYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR HSD11B1 375/4885EPHX2 1398/4885USP2 3169/4885

“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.