SCHEMBL13435652

SCHEMBL13435652

CCC(=O)N1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 11/20 0.64
CHRNA3 P32297 11/20 0.64
CHRNA4 P43681 11/20 0.64
CHRNB3 Q05901 9/20 0.64
CHRNA6 Q15825 9/20 0.64
CHRNB4 P30926 2/20 0.57
CHRNA7 P36544 2/20 0.57
ALDH1A1 P00352 1/20 0.41
BIRC2 Q13490 1/20 0.40
EPHX2 P34913 2/20 0.36
BLM P54132 1/20 0.34
OPRD1 P41143 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL12224347 1.00 CHRNB2 (0.64) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12820268 0.83 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1383584 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1383582 0.83 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7498965 0.81 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16472339 0.79 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15998838 0.79 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13949187 0.79
SCHEMBL1978271 0.78 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL16509278 0.78 BIRC2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-2022090481-A1 SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-05-05 WO disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 CHRNB2 150/4885CHRNA3 218/4885CHRNA4 219/4885

“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.