SCHEMBL18756141

SCHEMBL18756141

NNC(=O)C1(C(N)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
THPO P40225 1/20 0.38
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.31
KMT2A Q03164 1/20 0.31
SPHK1 Q9NYA1 6/20 0.31

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
SCHEMBL27801303 0.86 DGAT1 (0.48) DGAT1CYP1A2TSHRNFKB1MAOA
SCHEMBL2199488 0.82 KDM4E (0.39) KDM4EKMT2ASPHK1
Hydrochloric Acid SCHEMBL3658034 0.81 DGAT1 (0.34) DGAT1LMNASPHK1
SCHEMBL25194719 0.79 DGAT1 (0.43) DGAT1CYP1A2TSHRNFKB1MAOA
SCHEMBL196273 0.76
SCHEMBL897240 0.74 DGAT1 (0.43) DGAT1CYP1A2TSHRNFKB1MAOA
Hydrochloric Acid SCHEMBL18095044 0.74 LMNA (0.33) LMNAKDM4EKMT2ASPHK1
SCHEMBL10002471 0.73 CYP3A4 (0.39) KDM4EKMT2A
SCHEMBL1515605 0.73 KDM4E (0.36) KDM4EKMT2A
SCHEMBL21393559 0.72 ALDH1A1 (0.36) LMNAKDM4EKMT2ASPHK1

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 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 (4 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 DGAT1 600/4885CYP1A2 2284/4885TSHR 4491/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 DGAT1 600/4885CYP1A2 2284/4885TSHR 4491/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 DGAT1 600/4885CYP1A2 2284/4885TSHR 4491/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 DGAT1 600/4885CYP1A2 2284/4885TSHR 4491/4885

“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.