SCHEMBL24310072

SCHEMBL24310072

c1ccc(COc2cccc(C3CCCN3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.57
TNKS2 Q9H2K2 1/20 0.48
KDM1A O60341 1/20 0.47
MAOB P27338 3/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
BCHE P06276 2/20 0.44
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SPHK2 Q9NRA0 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44

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
SCHEMBL28751270 0.83 CHRNB2 (0.51) CHRNB4CHRNA3
SCHEMBL11551834 0.83 KCNH2 (0.53) KCNH2TNKS2KDM1AMAOBBCHE
SCHEMBL1355768 0.81 KCNH2 (0.52) KCNH2
SCHEMBL1355770 0.81 KCNH2 (0.52) KCNH2
Hydrochloric Acid SCHEMBL9025318 0.81 KCNH2 (0.42) KCNH2MAOBCHRNB4CHRNA3SPHK1
SCHEMBL2987773 0.79 TACR1 (0.52) KCNH2
SCHEMBL9025417 0.79 TACR1 (0.52) KCNH2
SCHEMBL6588487 0.79 SPHK1 (0.55) KCNH2TNKS2KDM1AMAOBBCHE
SCHEMBL6583023 0.79 SPHK1 (0.58) KCNH2TNKS2KDM1AMAOBBCHE
Hydrochloric Acid SCHEMBL8546078 0.78 MEN1 (0.53) KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
WO-2022076627-A1 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KCNH2 1261/4885TNKS2 4061/4885KDM1A 4709/4885

“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.