SCHEMBL18702014

SCHEMBL18702014

CC(C)(C)C(=O)N1CC2(CCN(CC(F)(F)F)CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
CYP3A4 P08684 10/20 0.38
TSHR P16473 9/20 0.38
CYP2D6 P10635 8/20 0.38
SPR P35270 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
USP2 O75604 10/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 5/20 0.36
CYP2C19 P33261 5/20 0.36
GLA P06280 1/20 0.35
CYP2C9 P11712 4/20 0.33
HSD11B1 P28845 1/20 0.33
GPR183 P32249 1/20 0.33
HIF1A Q16665 3/20 0.32

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
SCHEMBL18702127 0.87 EPHX2 (0.36) EPHX2CYP3A4TSHRCYP2D6SPR
SCHEMBL18711502 0.85 CYP2D6 (0.49) CYP3A4TSHRCYP2D6SPROPRM1
SCHEMBL18701901 0.80 KMT2A (0.40) CYP3A4OPRM1OPRD1OPRK1
SCHEMBL25904093 0.78 KCNH2 (0.38) EPHX2CYP3A4TSHRCYP2D6USP2
SCHEMBL25904119 0.76 CYP2D6 (0.40) EPHX2CYP3A4TSHRCYP2D6USP2
SCHEMBL19505121 0.75 OPRM1 (0.33) SPROPRM1OPRD1OPRK1
SCHEMBL18702150 0.75 EPHX2 (0.44) EPHX2CYP3A4TSHRCYP2D6SPR
SCHEMBL17624099 0.74 OPRM1 (0.35) CYP3A4TSHRCYP2D6SPROPRM1
SCHEMBL18701960 0.74 MEN1 (0.36) SPR
SCHEMBL21137552 0.74 HSD11B1 (0.41) EPHX2CYP3A4TSHRCYP2D6SPR

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 EPHX2 1398/4885CYP3A4 436/4885TSHR 2501/4885

“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.