SCHEMBL1992054

SCHEMBL1992054

COC(=O)[C@H]1CC[C@@H](N(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2944175 1.00 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL1992056 1.00 TP53 (0.44) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL20108084 0.88 CHRNB2 (0.41) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL244740 0.83
SCHEMBL2200767 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2948892 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL74396 0.83 TP53 (0.56) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL24131653 0.82 TP53 (0.41) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2942749 0.82 TP53 (0.41) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL2942751 0.82 TP53 (0.41) TP53SMN1; SMN2CHRNB2CHRNA4CHRNB4

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2020-11-05 US disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO TP53 1213/4885SMN1; SMN2 2548/4885CHRNB2 4463/4885
US-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A TP53 3724/4885SMN1; SMN2 1984/4885CHRNB2 2469/4885

“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.