SCHEMBL22630352

SCHEMBL22630352

CN(C)[C@H]1CC[C@H](C(=O)Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.37
ROCK2 O75116 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMYD3 Q9H7B4 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL22629293 1.00 L3MBTL3 (0.37) L3MBTL3ROCK2ALDH1A1TSHRSMYD3
SCHEMBL6649882 1.00 L3MBTL3 (0.37) L3MBTL3ROCK2ALDH1A1TSHRSMYD3
SCHEMBL24161970 0.80 ALDH1A1 (0.36) L3MBTL3ALDH1A1TSHR
SCHEMBL890380 0.79 CHRNB2 (0.36) TSHRL3MBTL1
SCHEMBL4279 0.79
SCHEMBL1506461 0.79 CHRNB2 (0.36) TSHRL3MBTL1
SCHEMBL1060400 0.79 CHRNB2 (0.36) TSHRL3MBTL1
SCHEMBL4008610 0.78 LMNA (0.43) L3MBTL3ALDH1A1TSHR
SCHEMBL12412594 0.78 L3MBTL3 (0.38) L3MBTL3ROCK2L3MBTL1
SCHEMBL5065495 0.78 LMNA (0.43) L3MBTL3ALDH1A1TSHR

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 1 patent. 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

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-20200345700-A1 LSD1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF KDM1B, KDM1A, KDM2A L3MBTL3 2563/4885ROCK2 391/4885ALDH1A1 290/4885

“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.