SCHEMBL6901397

SCHEMBL6901397

CCOC(=O)NC(=S)NC=N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 3/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CXCR2 P25025 1/20 0.34
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
CRHBP P24387 1/20 0.32
RAB9A P51151 1/20 0.32
CRHR2 Q13324 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
SCHEMBL4076771 0.84
SCHEMBL18591543 0.76 MAPT (0.42) MAPTALDH1A1L3MBTL1GAAMGAM
SCHEMBL8585563 0.75 SMN1; SMN2 (0.42) MAPTALDH1A1L3MBTL1GAAMGAM
SCHEMBL5455357 0.75 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1GAAMGAM
SCHEMBL18612045 0.75 MAPT (0.41) MAPTALDH1A1L3MBTL1GAAMGAM
SCHEMBL2232335 0.74
SCHEMBL7713280 0.72 GAA (0.55) ALDH1A1L3MBTL1GAAMGAMSI
SCHEMBL9634245 0.72 MAPT (0.40) MAPTALDH1A1GAAMGAMSI
SCHEMBL10633264 0.71 SMN1; SMN2 (0.45) ALDH1A1GAAPOLBLMNANPC1
SCHEMBL15706095 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562903-B2 Bridged piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2020-02-18 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 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 (4 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-20120225884-A1 BRIDGED PIPERIDINE DERIVATIVES HPGDS, APP, PSEN1 MAPT 309/4885ALDH1A1 1502/4885L3MBTL1 797/4885
US-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B MAPT 575/4885ALDH1A1 2136/4885L3MBTL1 789/4885
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 MAPT 582/4885ALDH1A1 1444/4885L3MBTL1 705/4885
US-10562903-B2 Bridged piperidine derivatives PTGDR, HPGDS, PSEN1 MAPT 295/4885ALDH1A1 2403/4885L3MBTL1 745/4885

“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.