SCHEMBL6886841

SCHEMBL6886841

Cc1cccc(-c2nc3ccc(N4CCN5CCC4CC5)cc3c(=O)n2C2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.45
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA1 P02708 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6887263 0.96 CHRNA7 (0.43) CHRNA7KMT2ATSHRSMN1; SMN2CHRNA1
SCHEMBL6888683 0.89 CHRNA7 (0.46) CHRNA7KMT2ATSHRSMN1; SMN2CHRNA1
SCHEMBL6888190 0.88 CHRNA7 (0.47) CHRNA7KMT2ACHRNA1CHRNB2CHRNB4
SCHEMBL6888927 0.87 KDM4E (0.43) CHRNA7KMT2AGAAALOX15KCNH2
SCHEMBL6887906 0.84 CHRNA7 (0.40) CHRNA7KMT2ATSHRSMN1; SMN2CHRNA1
SCHEMBL1670209 0.84 ADRA1A (0.42) CHRNA7KMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6886315 0.82 HPGD (0.42) CHRNA7KMT2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL6888062 0.82 CHRNA7 (0.48) CHRNA7TSHRCHRNA1CHRNB2CHRNB4
SCHEMBL6888711 0.82 CHRNA7 (0.43) CHRNA7KMT2ATSHRCHRNA1CHRNB2
SCHEMBL1668992 0.81 ALDH1A1 (0.38) CHRNA7KMT2ATSHRSMN1; SMN2ALDH1A1

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 1947/4885TSHR 375/4885

“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.