SCHEMBL6889309

SCHEMBL6889309

CCc1nc2ccc(N3CCN4CCC3CC4)cc2c(=O)n1C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.44
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
HTR3A P46098 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KCNH2 Q12809 4/20 0.37
HRH3 Q9Y5N1 4/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6887861 0.86 CHRNA7 (0.46) CHRNA7HTR3AKCNH2HRH3CHRNA1
SCHEMBL6888096 0.83 CHRNA7 (0.44) CHRNA7HTR3AKCNH2CHRNA1CHRNB2
SCHEMBL6887450 0.82 CHRNA7 (0.43) CHRNA7HTR3AKCNH2CHRNA1CHRNB2
SCHEMBL6887544 0.82 CHRNA7 (0.43) CHRNA7KCNH2SMN1; SMN2
SCHEMBL6888190 0.81 CHRNA7 (0.47) CHRNA7GAAALOX15HTR3AMEN1
SCHEMBL6887263 0.80 CHRNA7 (0.43) CHRNA7GAAALOX15HTR3AMEN1
SCHEMBL6888711 0.79 CHRNA7 (0.43) CHRNA7GAAALOX15HTR3AMEN1
SCHEMBL11922984 0.79 CHRNA7 (0.41) CHRNA7HTR3AMEN1KMT2AKCNH2
SCHEMBL6888343 0.79 CHRNA7 (0.40) CHRNA7HTR3AKCNH2CHRNA1CHRNB2
SCHEMBL6888044 0.79 PIK3CA (0.40) CHRNA7GAAALOX15KCNH2HRH3

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 3/4885CRHBP 2194/4885CRHR2 874/4885

“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.