SCHEMBL13624254

SCHEMBL13624254

CC[C@H](N)CNc1ccccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.52
ALDH1A1 P00352 9/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 2/20 0.45
ATM Q13315 1/20 0.43
GPR55 Q9Y2T6 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL13159635 0.81 SMN1; SMN2 (0.56) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL28228807 0.78 ALDH1A1 (0.50) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4368253 0.76 GAA (0.52) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL4368258 0.76 GAA (0.52) ALDH1A1L3MBTL1MEN1KMT2ALMNA
SCHEMBL22673231 0.76 ALDH1A1 (0.50) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6228918 0.73 ALDH1A1 (0.52) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8342797 0.73 ALDH1A1 (0.55) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12310422 0.73 KCNQ2 (0.67) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12260392 0.73 KCNQ2 (0.67) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL18574037 0.73 ALDH1A1 (0.49) KCNQ2ALDH1A1L3MBTL1MEN1KMT2A

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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 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-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF KCNQ2 3491/4885ALDH1A1 2506/4885L3MBTL1 3079/4885

“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.