SCHEMBL13964802

SCHEMBL13964802

CN1CCC(N2CCC(C(N)=O)CC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.59
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
MEN1 O00255 1/20 0.42
APEX1 P27695 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
LMNA P02545 1/20 0.37
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37

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
SCHEMBL26095936 0.91 ALDH1A1 (0.56) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL11039671 0.88 SMN1; SMN2 (0.59) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL274448 0.88 SMN1; SMN2 (0.59) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL12482578 0.86 CHRM1 (0.59) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
Hydrochloric Acid SCHEMBL14311961 0.86 SMN1; SMN2 (0.57) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
Hydrochloric Acid SCHEMBL4788803 0.86 SMN1; SMN2 (0.57) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL19066091 0.85 CHRM1 (0.47) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL28944872 0.85 CHRM1 (0.51) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
Hydrochloric Acid SCHEMBL1999076 0.84 CHRM1 (0.57) CHRM1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL3091613 0.82 ALDH1A1 (0.64) CHRM1ALDH1A1SMN1; SMN2L3MBTL1L3MBTL3

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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-12-14 US disclosed
EP-4234031-A2 C40-, C28-, AND C-32-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS Revolution Medicines, Inc. (US) 2023-08-30 EP disclosed
EP-1345899-B1 N-substituted amides as NK1 receptor antagonists ASTRAZENECA AB (SE) 2009-01-14 EP 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-20230399312-A1 SUBSTITUTED PYRIMIDINES AND METHODS OF USE ALK, TYMP, ENTPD5 CHRM1 3609/4885ALDH1A1 2596/4885SMN1; SMN2 1877/4885

“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.