SCHEMBL19539277

SCHEMBL19539277

CC(C)NC(=O)C1CCC(CC(C)NC(=O)C2CCOCC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CTSL P07711 3/20 0.39
▸ CTSS P25774 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSK P43235 1/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ ACACB O00763 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.33

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
SCHEMBL19062042 0.82 CHRNB2 (0.40) SMN1; SMN2MEN1KMT2ACTSKCHRNB2
SCHEMBL12448285 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CTSLCTSSMEN1KMT2A
SCHEMBL19539199 0.80 CHRNB2 (0.45) SMN1; SMN2MEN1KMT2ACTSKCHRNB2
SCHEMBL26992356 0.77 CHRNB2 (0.41) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4
SCHEMBL21025750 0.75 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL18714404 0.75 SMN1; SMN2 (0.65) SMN1; SMN2ACACBALDH1A1HTTGAA
SCHEMBL20666110 0.74 ACACB (0.35) SMN1; SMN2CTSLCTSSMEN1KMT2A
SCHEMBL9558751 0.73 SMN1; SMN2 (0.49) SMN1; SMN2CTSLCTSSMEN1KMT2A
SCHEMBL9558762 0.73 SMN1; SMN2 (0.49) SMN1; SMN2CTSLCTSSMEN1KMT2A
SCHEMBL21501965 0.73 MEN1 (0.47) SMN1; SMN2MEN1KMT2ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 — — US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 — — 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-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B SMN1; SMN2 2278/4885CTSL 4498/4885CTSS 3512/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B SMN1; SMN2 2301/4885CTSL 4525/4885CTSS 3536/4885

“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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