SCHEMBL6737586

SCHEMBL6737586

N#Cc1ccc(NC(=O)N2CC3CC(CN(CC(=O)c4ccc5c(c4)OCCO5)C3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 4/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
CTSZ Q9UBR2 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
NAMPT P43490 4/20 0.42
PAX8 Q06710 1/20 0.42
VNN1 O95497 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL7028393 0.84 ALDH1A1 (0.47) LMNAALDH1A1PKMNPC1RAB9A
SCHEMBL7030302 0.80 ALDH1A1 (0.48) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6995973 0.79 NPC1 (0.44) LMNAALDH1A1PKMNPC1RAB9A
SCHEMBL7034957 0.78 KDM4E (0.46) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7025735 0.77 PAX8 (0.40) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2956846 0.76 ALDH1A1 (0.48) LMNAALDH1A1PKMNPC1RAB9A
SCHEMBL6738695 0.76 NAMPT (0.46) KDM4ENAMPTFAAH
SCHEMBL6739626 0.75 ALDH1A1 (0.43) LMNAALDH1A1PKMNPC1RAB9A
SCHEMBL7027068 0.75 USP2 (0.42) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5965850 0.74 ALDH1A1 (0.46) LMNAALDH1A1PKMNPC1RAB9A

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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2004-11-18 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-20040229900-A1 Bispidine compounds useful in the treatment of cardiac arrythmias ADRA1B, ADRB2, ADRA1D LMNA 1399/4885ALDH1A1 790/4885PKM 3769/4885

“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.