SCHEMBL18702003

SCHEMBL18702003

CN1CCC2(CCN(C(=O)C(C)(C)C)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.45
CYP3A4 P08684 8/20 0.44
HSD11B1 P28845 1/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C19 P33261 3/20 0.42
EPHX2 P34913 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 5/20 0.39
CYP2C9 P11712 2/20 0.39
HIF1A Q16665 2/20 0.37
SPR P35270 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 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
SCHEMBL19652093 0.91 USP2 (0.42) USP2CYP3A4HSD11B1CYP2D6CYP2C19
SCHEMBL18701846 0.85 HSD11B1 (0.50) USP2CYP3A4HSD11B1CYP2D6CYP2C19
SCHEMBL18702006 0.81 HSD11B1 (0.59) USP2CYP3A4HSD11B1CYP2D6CYP2C19
SCHEMBL18711889 0.79 USP2 (0.49) USP2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL22959553 0.79 HSD11B1 (0.46) USP2CYP3A4HSD11B1CYP2D6CYP2C19
SCHEMBL18390378 0.78 CYP3A4 (0.49) USP2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3934383 0.78 USP2 (0.47) USP2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL23724098 0.77 CYP1A2 (0.47) CYP3A4HSD11B1CYP2D6CYP2C19EPHX2
SCHEMBL18701923 0.77 HSD11B1 (0.44) HSD11B1EPHX2SPR
SCHEMBL18701880 0.77 EPHX2 (0.43) USP2CYP3A4HSD11B1CYP2D6CYP2C19

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 USP2 3169/4885CYP3A4 436/4885HSD11B1 375/4885

“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.