SCHEMBL22746450

SCHEMBL22746450

CCNC(CC)C(=O)Nc1c(C)cccc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
ATM Q13315 2/20 0.47
HSP90AA1 P07900 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
SCN3A Q9NY46 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
MC4R P32245 1/20 0.46
SCN4A P35499 1/20 0.46
MC3R P41968 1/20 0.46
HTR3A P46098 1/20 0.46
SCN5A Q14524 1/20 0.46

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
SCHEMBL28957057 0.88 SCN3A (0.50) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL22746435 0.83 ANPEP (0.41) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL1934232 0.83 ANPEP (0.46) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL28739212 0.80 TSHR (0.53) ATMHSP90AA1LMNAMAPTSCN3A
SCHEMBL14275079 0.78 ATM (0.54) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL10993026 0.77 ATM (0.56) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL7221331 0.77 KMT2A (0.50) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL11673045 0.77 ATM (0.49) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL7853958 0.77 ATM (0.49) ANPEPATMHSP90AA1LMNAMAPT
SCHEMBL24398548 0.76 ANPEP (0.46) ANPEPATMHSP90AA1LMNAMAPT

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-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-12-03 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-20200377459-A1 CHARGED ION CHANNEL BLOCKERS AND METHODS FOR USE TRPV1, TRPV2, TRPA1 ANPEP 1482/4885ATM 4664/4885HSP90AA1 2801/4885

“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.