SCHEMBL2177924

SCHEMBL2177924

Cc1nc(CC(N)=O)c(C)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
GAA P10253 1/20 0.38
SLC6A3 Q01959 1/20 0.37
F2 P00734 1/20 0.37
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.33
CA2 P00918 1/20 0.32
ADRB3 P13945 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
NPC1 O15118 1/20 0.31
ACKR3 P25106 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL855931 0.82 SLC6A3 (0.41) GAASLC6A3ALDH1A1RAB9AL3MBTL1
SCHEMBL15478255 0.82 SLC6A3 (0.38) GAASLC6A3ALDH1A1RAB9AADRB3
SCHEMBL2827059 0.79 KDM4E (0.43) GAASLC6A3ALDH1A1RAB9AADRB3
SCHEMBL13196362 0.78 SLC6A3 (0.36) GAASLC6A3RAB9AADRB3FPR3
SCHEMBL13851715 0.77 SLC6A3 (0.39) GAASLC6A3RAB9AADRB3FPR3
SCHEMBL2827987 0.77 GAA (0.56) HTTGAASLC6A3ALDH1A1RAB9A
SCHEMBL11985523 0.77 GAA (0.36) GAASLC6A3RAB9AADRB3FPR3
SCHEMBL13799644 0.76 SMN1; SMN2 (0.44) HTTGAAALDH1A1LMNACA2
SCHEMBL14736582 0.73 ALDH1A1 (0.50) HTTGAAALDH1A1RAB9AL3MBTL1
SCHEMBL4919965 0.73 HPGD (0.53) GAAALDH1A1RAB9ALMNANPC1

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
EP-2592073-B1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND THEIR USE AERPIO THERAPEUTICS INC (US) 2017-08-30 EP disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP HTT 1878/4885GAA 37/4885SLC6A3 4713/4885

“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.