SCHEMBL2465872

SCHEMBL2465872

OCCC1COCCN1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.54
POLB P06746 5/20 0.52
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL2465869 1.00 SIGMAR1 (0.54) SIGMAR1POLBALDH1A1GAALMNA
SCHEMBL945183 0.88 SIGMAR1 (0.47) SIGMAR1POLB
SCHEMBL945182 0.88 SIGMAR1 (0.47) SIGMAR1POLB
SCHEMBL1880066 0.88 SIGMAR1 (0.47) SIGMAR1POLB
Hydrochloric Acid SCHEMBL1442190 0.87 SIGMAR1 (0.46) SIGMAR1POLB
Hydrochloric Acid SCHEMBL1730624 0.87 SIGMAR1 (0.46) SIGMAR1POLB
Hydrochloric Acid SCHEMBL1442192 0.87 SIGMAR1 (0.46) SIGMAR1POLB
SCHEMBL27706864 0.85 LTA4H (0.40) SIGMAR1POLB
SCHEMBL27952242 0.85 LTA4H (0.40) SIGMAR1POLBGAA
SCHEMBL2459174 0.83 LTA4H (0.42) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116745291-A N- (2- (4-cyanothiazolidin-3-yl) -2-oxoethyl) -quinoline-4-carboxamide 阿斯利康(瑞典)有限公司 2023-09-12 CN disclosed
US-8541585-B2 N-acyl cyclic amine derivative or pharmaceutically acceptable salt thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-09-24 US disclosed
EP-2545046-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-01-16 EP disclosed
CN-102884059-A N-acyl cyclic amine derivatives or pharmaceutically acceptable salts thereof DAINIPPON SUMITOMO PHARMA CO 2013-01-16 CN disclosed
US-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. 2012-08-23 US disclosed
WO-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 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-20120214790-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF GRIN2C, GRIN2A, GRIN2B SIGMAR1 234/4885POLB 2702/4885ALDH1A1 1350/4885

“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.