SCHEMBL15645751

SCHEMBL15645751

CCOC(=O)C(=CN(C)C)C(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
GAA P10253 2/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM1 P11229 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
PKM P14618 1/20 0.34

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
SCHEMBL15647563 1.00 MAPT (0.46) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL1014326 0.86 CYP2C9 (0.46) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL1014327 0.86 CYP2C9 (0.46) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL31587550 0.86 CYP2C9 (0.46) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL20428017 0.84 HPGD (0.45) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL28228568 0.83 CYP2C9 (0.44) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL30550006 0.83 CYP2C9 (0.44) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL24863517 0.76 CYP2C9 (0.43) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL17091895 0.75 CYP2C9 (0.38) MAPTGAAALDH1A1CYP2C9SMN1; SMN2
SCHEMBL15647706 0.75 CYP2C9 (0.38) MAPTGAAALDH1A1CYP2C9SMN1; SMN2

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
WO-2014062938-A1 RORY MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO 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 (2 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC MAPT 3021/4885GAA 2229/4885ALDH1A1 1877/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC MAPT 3030/4885GAA 2832/4885ALDH1A1 1669/4885

“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.