Sugi Predict

Sugi Predict / Compounds / SCHEMBL6886701

SCHEMBL6886701

SCHEMBL6886701

CC(C)(CO)Cn1c(C2CC2)nc2ccc(N3CCN4CCC3CC4)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 3/20 0.41
▸ NPC1 O15118 7/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ SMN1; SMN2 Q16637 6/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 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
SCHEMBL6888343 0.88 CHRNA7 (0.40) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6886386 0.86 CHRNA7 (0.43) CHRNA7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6887249 0.85 CHRNA1 (0.39) CHRNA7POLBCHRNA1CHRNB2CHRNB4
SCHEMBL6889276 0.85 CHRNA7 (0.42) CHRNA7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6886775 0.84 RAB9A (0.35) CHRNA7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6886339 0.84 CHRNA7 (0.39) CHRNA7SMN1; SMN2LMNATSHRHPGD
SCHEMBL6888036 0.83 CHRNA7 (0.43) CHRNA7KCNH2CHRNA1CHRNB2CHRNB4
SCHEMBL6887453 0.83 CHRNA7 (0.44) CHRNA7NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL6888242 0.83 CHRNA1 (0.43) CHRNA7CHRNA1CHRNB2CHRNB4CHRNA3
SCHEMBL6889695 0.82 CHRNA7 (0.38) CHRNA7KDM4ESMN1; SMN2HSD17B10HPGD

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 3/4885NPC1 1024/4885RAB9A 1662/4885

“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.