SCHEMBL29600540

SCHEMBL29600540

C[C@@H]1CCCCN1c1cncc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
SMPD3 Q9NY59 2/20 0.38
LATS1 O95835 1/20 0.37
CHRM4 P08173 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL24324092 1.00 MAPT (0.41) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL29601220 0.96 SMPD3 (0.41) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL24324615 0.96 SMPD3 (0.41) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL1326312 0.78 ALDH1A1 (0.44) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL20436549 0.75 PDE10A (0.48) MAPTKDM4EL3MBTL1BCHEACHE
SCHEMBL24323682 0.74 ALDH1A1 (0.39) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL29600541 0.74 ALDH1A1 (0.39) MAPTKDM4EL3MBTL1PIM1PIM3
SCHEMBL24324093 0.73 PDE10A (0.46) KDM4EPIM1PIM3PIM2ALDH1A1
SCHEMBL24270218 0.73 PDE10A (0.42) MAPTKDM4EL3MBTL1SMPD3CHRM4
SCHEMBL24270217 0.73 PDE10A (0.42) MAPTKDM4EL3MBTL1SMPD3CHRM4

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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP 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-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAPT 4859/4885KDM4E 4172/4885L3MBTL1 4050/4885

“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.