SCHEMBL24324476

SCHEMBL24324476

Cc1ncc(N2CCC(C)(C)C2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
DYRK1A Q13627 1/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
CHRNA4 P43681 2/20 0.36
ACACB O00763 1/20 0.33
PDE10A Q9Y233 1/20 0.32
OPRL1 P41146 1/20 0.32
CYP11B1 P15538 3/20 0.32
CYP11B2 P19099 3/20 0.32
KCNQ2 O43526 1/20 0.32
MGLL Q99685 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRND Q07001 1/20 0.31
ROCK1 Q13464 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
SCHEMBL24330613 0.82 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4OPRL1
SCHEMBL24323811 0.80 SIGMAR1 (0.33) SIGMAR1DYRK1ACHRNB2CHRNB4CHRNA3
SCHEMBL24323519 0.80 PANK3 (0.41) SIGMAR1DYRK1AACACBOPRL1EGLN2
SCHEMBL23561133 0.74 CDK4 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20468861 0.73 ALDH1A1 (0.50) CYP11B1ROCK1CDC42BPB
SCHEMBL8420938 0.72 CYP2C9 (0.53)
SCHEMBL23228760 0.72 TSHR (0.34) OPRL1
SCHEMBL12204161 0.71 CHKA (0.43) CHRNB2CHRNA4
SCHEMBL22857712 0.71 CYP3A4 (0.50) CHRNB2CHRNA3CHRNA4CHRNA7
SCHEMBL9881482 0.70 MAPT (0.44) CHRNB2CHRNA4

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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-11-23 US disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO 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-20230374038-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SIGMAR1 2148/4885DYRK1A 4588/4885CHRNB2 1673/4885

“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.