SCHEMBL6887263

SCHEMBL6887263

Cc1cccc(-c2nc3ccc(N4CCN5CCC4CC5)cc3c(=O)n2C2CCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.43
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRNA1 P02708 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
HTR3A P46098 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL6886841 0.96 CHRNA7 (0.45) CHRNA7KMT2AGAAALOX15TSHR
SCHEMBL6888190 0.92 CHRNA7 (0.47) CHRNA7KMT2AGAAALOX15CHRNA1
SCHEMBL6888927 0.91 KDM4E (0.43) CHRNA7KMT2AGAAALOX15MEN1
SCHEMBL6887906 0.88 CHRNA7 (0.40) CHRNA7KMT2AGAAALOX15TSHR
SCHEMBL6888683 0.87 CHRNA7 (0.46) CHRNA7KMT2ATSHRSMN1; SMN2CHRNA1
SCHEMBL1670209 0.86 ADRA1A (0.42) CHRNA7KMT2AGAAALOX15TSHR
SCHEMBL6888711 0.86 CHRNA7 (0.43) CHRNA7KMT2AGAAALOX15TSHR
SCHEMBL1668992 0.85 ALDH1A1 (0.38) CHRNA7KMT2AGAAALOX15TSHR
SCHEMBL6888044 0.85 PIK3CA (0.40) CHRNA7GAAALOX15KCNH2
SCHEMBL6888541 0.83 CHRNA7 (0.46) CHRNA7GAAALOX15TSHRCHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 CHRNA7 3/4885KMT2A 1947/4885GAA 1469/4885

“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.