SCHEMBL18151107

SCHEMBL18151107

CC(C)(C)OC(=O)N1CC[C@@H]2CCC[C@H](C1)N2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
EPHX1 P07099 1/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
RECQL P46063 1/20 0.43
NR1H2 P55055 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GPR119 Q8TDV5 3/20 0.41
PDE4B Q07343 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40

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
SCHEMBL2936888 1.00 HPGD (0.49) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL4321473 0.94 HPGD (0.48) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL30004846 0.94 HPGD (0.48) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL18081207 0.91 NR1H2 (0.47) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL24884312 0.84 NR1H2 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL400513 0.84 NR1H2 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL22169156 0.84 NR1H2 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL608991 0.84 NR1H2 (0.50) HPGDEPHX1MAPTMEN1ALDH1A1
SCHEMBL22001467 0.82 RECQL (0.48) HPGDEPHX1MAPTMEN1ALDH1A1
Hydrochloric Acid SCHEMBL7149386 0.82 NR1H2 (0.49) HPGDEPHX1MAPTMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HPGD 261/4885EPHX1 1528/4885MAPT 3059/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 HPGD 261/4885EPHX1 1528/4885MAPT 3059/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 HPGD 261/4885EPHX1 1528/4885MAPT 3059/4885

“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.