SCHEMBL23062882

SCHEMBL23062882

CC(=O)c1c(C2CC2)noc1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 3/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AHR P35869 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL5736534 0.91 ALDH1A1 (0.41) BRD4LMNAKMT2APOLBRECQL
SCHEMBL11520965 0.76 ALDH1A1 (0.40) BRD4LMNAKMT2APOLBRECQL
SCHEMBL11542180 0.74 ALDH1A1 (0.44) BRD4LMNAKMT2APOLBRECQL
SCHEMBL285476 0.73 L3MBTL1 (0.45) LMNAKMT2APOLBNPSR1ALDH1A1
SCHEMBL285668 0.72 L3MBTL1 (0.44) LMNAKMT2APOLBNPSR1ALDH1A1
SCHEMBL358889 0.71 ALDH1A1 (0.47) BRD4LMNAKMT2AALDH1A1BRD2
SCHEMBL16906034 0.71 PKM (0.34) BRD4ALDH1A1
SCHEMBL285617 0.71 ALDH1A1 (0.40) LMNAKMT2APOLBNPSR1ALDH1A1
SCHEMBL21191315 0.70 BRD4 (0.40) BRD4LMNAKMT2APOLBRECQL
SCHEMBL16104449 0.70 HSD17B10 (0.36) BRD4LMNAPOLBNPSR1ALDH1A1

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
CN-112119076-B Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors 默沙东有限责任公司 2025-01-10 CN disclosed
EP-3788043-B1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME LLC (US) 2024-11-06 EP disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
EP-3788043-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme Corp. (US) 2021-03-10 EP 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 BRD4 1627/4885LMNA 4621/4885KMT2A 3815/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 BRD4 1627/4885LMNA 4621/4885KMT2A 3815/4885

“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.