SCHEMBL2390157

SCHEMBL2390157

C=C[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
HSD11B1 P28845 2/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ACACB O00763 1/20 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
SCHEMBL1643826 0.80 USP2 (0.39) HSD17B10SMN1; SMN2USP2HSD11B1EPHX2
SCHEMBL3279795 0.78
SCHEMBL21408164 0.77 HSD17B10 (0.33) HSD17B10SMN1; SMN2USP2EPHX2HPGD
SCHEMBL21408122 0.76 USP2 (0.39) HSD17B10SMN1; SMN2USP2HSD11B1EPHX2
SCHEMBL16224365 0.75 USP2 (0.38) HSD17B10SMN1; SMN2USP2EPHX2HPGD
SCHEMBL31752492 0.75 CHRM2 (0.36) HSD17B10SMN1; SMN2USP2EPHX2HPGD
SCHEMBL31066446 0.74 TGM2 (0.33) HSD17B10SMN1; SMN2USP2EPHX2HPGD
SCHEMBL21408125 0.74 ACACB (0.40) HSD17B10SMN1; SMN2USP2HPGDCHRM2
SCHEMBL17632173 0.73 EPHX2 (0.35) HSD17B10SMN1; SMN2USP2NPC1EPHX2
SCHEMBL15024510 0.73 JAK2 (0.36) HSD17B10SMN1; SMN2USP2EPHX2ACACB

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-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-8013008-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-09-06 US disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 HSD17B10 475/4885SMN1; SMN2 3154/4885USP2 3505/4885

“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.