SCHEMBL13751280

SCHEMBL13751280

CCN1CCCC2C1CCN2CC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13751142 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1KMT2AATMRAB9A
SCHEMBL26618041 0.87 CHRM2 (0.39) —
SCHEMBL13751271 0.86 ALDH1A1 (0.35) ALDH1A1L3MBTL1KMT2AATMRAB9A
SCHEMBL27009994 0.82 L3MBTL1 (0.33) L3MBTL1KMT2A
SCHEMBL8442604 0.81 LMNA (0.36) KMT2A
SCHEMBL19120709 0.81 DRD2 (0.36) ALDH1A1KMT2A
SCHEMBL10942894 0.81 LMNA (0.36) KMT2A
SCHEMBL28494816 0.81 LMNA (0.36) KMT2A
SCHEMBL22318124 0.80 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL21583674 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1KMT2A

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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES ABBOTT LABORATORIES (US) 2009-08-06 — — 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-20090197860-A1 BIARYL SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES BRCA1, VHL, AADAC ALDH1A1 782/4885L3MBTL1 3010/4885KMT2A 2539/4885

“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.

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