SCHEMBL18216566

SCHEMBL18216566

CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.46
▸ CTSS P25774 4/20 0.46
▸ PTPRB P23467 6/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL13536928 1.00 CTSK (0.46) CTSKCTSSPTPRBMAPTATM
SCHEMBL1096245 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCA1
SCHEMBL4789660 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCA1
SCHEMBL4600416 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCA1
SCHEMBL4596762 0.84 CTSS (0.47) CTSKCTSSPTPRBMAPTATM
SCHEMBL14923678 0.84 CTSS (0.47) CTSKCTSSPTPRBMAPTATM
SCHEMBL20281032 0.83 CTSS (0.46) CTSKCTSSPTPRBMAPTATM
SCHEMBL14923679 0.83 CTSS (0.46) CTSKCTSSPTPRBMAPTATM
SCHEMBL1105001 0.83 CTSK (0.49) CTSKCTSSPTPRBMAPTATM
SCHEMBL1095180 0.83 CTSK (0.46) CTSKCTSSPTPRBMAPTATM

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-10167299-B2 1-(3-aminopropyl) substituted cyclic amine compounds, preparation method therefor, and pharmaceutical compositions and uses thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-01 — — US disclosed
EP-3091013-B1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2018-08-08 — — EP disclosed
US-20170044187-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-02-16 — — US disclosed
US-20170044187-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-02-16 — — US disclosed
EP-3091013-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2016-11-09 — — EP 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-20170044187-A1 1-(3-AMINOPROPYL) SUBSTITUTED CYCLIC AMINE COMPOUNDS, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF CCR5, CCR1, CCRL2 CTSK 3501/4885CTSS 1544/4885PTPRB 3086/4885
US-10167299-B2 1-(3-aminopropyl) substituted cyclic amine compounds, preparation method therefor, and pharmaceutical compositions and uses thereof CCR5, CCRL2, CCR1 CTSK 4515/4885CTSS 3234/4885PTPRB 2256/4885

“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.

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