SCHEMBL16889162

SCHEMBL16889162

CCC(=O)N1CCOCC1(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 2/20 0.35
PRMT5 O14744 1/20 0.34
TSHR P16473 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
PIK3CD O00329 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
RORC P51449 1/20 0.32
GABRA5 P31644 1/20 0.32
DDR1 Q08345 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
SCHEMBL15134191 0.86 GRM5 (0.36) GRM5ALDH1A1CNR2PRMT5TSHR
SCHEMBL16963847 0.84 GRM5 (0.39) GRM5ALDH1A1CNR2PRMT5TSHR
SCHEMBL1798699 0.84 CNR2 (0.37) GRM5CNR2PRMT5TSHRGAA
SCHEMBL13612712 0.81 ALDH1A1 (0.38) ALDH1A1CNR2TSHRGAAPOLB
SCHEMBL16885248 0.81 ALDH1A1 (0.36) GRM5ALDH1A1CNR2PRMT5GAA
SCHEMBL15637406 0.79 GRM5 (0.38) GRM5ALDH1A1CNR2PRMT5GAA
SCHEMBL18478526 0.79 SMN1; SMN2 (0.43) GRM5ALDH1A1CNR2PRMT5GAA
SCHEMBL15133037 0.78 CNR2 (0.34) GRM5ALDH1A1CNR2PRMT5TSHR
SCHEMBL25259083 0.77 GRM5 (0.40) GRM5CNR2PRMT5GAAJAK2
Hydrochloric Acid SCHEMBL4247953 0.77 GRM5 (0.37) GRM5ALDH1A1CNR2PRMT5GAA

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
WO-2019016385-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2019-01-24 WO disclosed
US-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-9242984-B2 Pyrazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-26 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 US disclosed
US-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-07-09 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 (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-20150191461-A1 PYRAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, LCK GRM5 3625/4885ALDH1A1 2112/4885CNR2 3853/4885
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 GRM5 3656/4885ALDH1A1 3298/4885CNR2 3813/4885

“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.