SCHEMBL6889276

SCHEMBL6889276

O=c1c2cc(N3CCN4CCC3CC4)ccc2nc(C2CC2)n1CCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.42
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 2/20 0.41
JAK3 P52333 2/20 0.41
TSHR P16473 3/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL6886386 0.94 CHRNA7 (0.43) CHRNA7JAK2JAK1TYK2JAK3
SCHEMBL6887545 0.85 BRD4 (0.46) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6887453 0.85 CHRNA7 (0.44) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6886701 0.85 CHRNA7 (0.41) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6890362 0.82 CHRNA7 (0.39) CHRNA7TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL6888328 0.82 PARG (0.47) CHRNA7KCNH2
SCHEMBL6891194 0.82 CHRNA7 (0.43) CHRNA7TSHRMAPTMEN1KMT2A
SCHEMBL6886581 0.80 AVPR1B (0.45) LMNAMAPTKDM4EMEN1KMT2A
SCHEMBL6886645 0.80 AVPR1B (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL6887456 0.78 CHRNA7 (0.45) CHRNA7NPC1RAB9ASMN1; SMN2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP 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
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 3/4885JAK2 2088/4885JAK1 2158/4885

“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.