SCHEMBL3782382

SCHEMBL3782382

CN1Cc2ccccc2C2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
MAPK1 P28482 1/20 0.46
USP30 Q70CQ3 1/20 0.45
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.44
NAMPT P43490 3/20 0.43
KDM1A O60341 2/20 0.43
ATM Q13315 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
ESR2 Q92731 1/20 0.42
PDK2 Q15119 1/20 0.41
CYP11B2 P19099 1/20 0.41
NR1H2 P55055 1/20 0.41
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL3782378 1.00 HDAC1 (0.50) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL17969880 0.89 MAPK1 (0.50) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL1747820 0.87 HDAC1 (0.49) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL3781558 0.84 HDAC1 (0.47) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL3781557 0.84 HDAC1 (0.47) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL30561535 0.84 MAPK1 (0.51) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL21940364 0.84 HDAC1 (0.49) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL2109651 0.83 RBP4 (0.51) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL5578976 0.82 ATM (0.46) HDAC1HDAC8HDAC6MAPK1USP30
SCHEMBL8229719 0.81 MAPK1 (0.49) HDAC1HDAC8HDAC6MAPK1USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252151-B1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2014-05-14 EP disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US 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-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 HDAC1 717/4885HDAC8 3396/4885HDAC6 2192/4885

“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.