SCHEMBL5636643

SCHEMBL5636643

CN1C2CCC1CC(Sc1ccc3[nH]c(=O)ccc3c1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
F11 P03951 1/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.34

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
SCHEMBL6576897 1.00 CA12 (0.43) CA12CA9MEN1KMT2AF11
SCHEMBL14573411 1.00 CA12 (0.43) CA12CA9MEN1KMT2AF11
SCHEMBL14573437 0.95 CA12 (0.41) CA12CA9MEN1KMT2AF11
SCHEMBL4873979 0.82 MEN1 (0.46) CA12CA9MEN1KMT2AF11
SCHEMBL14573412 0.82 POLB (0.38) POLBBRD4ATAD2
SCHEMBL5636834 0.82 POLB (0.38) POLBBRD4ATAD2
SCHEMBL14573406 0.80 CHRNA7 (0.40)
SCHEMBL5635488 0.80 CHRNA7 (0.40)
SCHEMBL14573431 0.79 NOS1 (0.44) MEN1KMT2AMAPT
SCHEMBL5637988 0.79 NOS1 (0.44) MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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 (2 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CA12 3022/4885CA9 3445/4885MEN1 3951/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 CA12 1096/4885CA9 2095/4885MEN1 4631/4885

“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.