SCHEMBL12424315

SCHEMBL12424315

CCC1CN(C(=O)CC#N)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRNB2 P17787 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36
CHRNB3 Q05901 2/20 0.36
CHRNA6 Q15825 2/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
MCL1 Q07820 3/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA7 P36544 2/20 0.35
CYP3A4 P08684 1/20 0.35
JAK3 P52333 5/20 0.34
JAK1 P23458 4/20 0.34
JAK2 O60674 4/20 0.33
TYK2 P29597 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
SCHEMBL16478644 0.86 IRAK4 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12424401 0.86 JAK2 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL24456492 0.86 JAK2 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL30497410 0.86 JAK2 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12424603 0.83 JAK3 (0.46) ALDH1A1KMT2AMEN1MAPTIRAK4
SCHEMBL12424943 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL16478695 0.80 IRAK4 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12683438 0.80 IRAK4 (0.40) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL12683417 0.80 MEN1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL15014577 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E

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
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885KMT2A 1997/4885MEN1 298/4885

“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.