SCHEMBL323220

SCHEMBL323220

O=C(O)C[C@@H]1COCCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FEN1 P39748 1/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SLC6A12 P48065 3/20 0.32
SLC6A11 P48066 3/20 0.32
SLC6A13 Q9NSD5 3/20 0.32
LMNA P02545 1/20 0.30

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
SCHEMBL322281 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL323060 1.00 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM3CYP1A2
Water SCHEMBL4817063 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL10306685 0.98 CHRM2 (0.42) CHRM2CHRM4CHRM5CHRM3CYP1A2
Benzene SCHEMBL5878128 0.96 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3CYP1A2
Isobutane SCHEMBL11057630 0.92 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM3CYP1A2
Hexane SCHEMBL11488442 0.89 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM3CYP1A2
SCHEMBL8207932 0.84 CHRM2 (0.39) CHRM2CHRM4CHRM5CHRM3FEN1
Toluene SCHEMBL1308697 0.83 ALDH1A1 (0.43) CHRM2CHRM4CHRM5CHRM3FEN1
Benzene SCHEMBL11465351 0.82 CHRM2 (0.36) CHRM2CHRM4CHRM5CHRM3CYP1A2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4731623-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC Therapeutics, Inc. (US) 2026-04-29 EP disclosed
WO-2025006078-A1 CARBOLINE COMPOUNDS AND USE THEREOF PTC THERAPEUTICS, INC. (US) 2025-01-02 WO disclosed
EP-2675798-B1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-07-01 EP disclosed
EP-2590984-B1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-01-28 EP disclosed
US-8877778-B2 Benzofurane compounds HOFFMANN-LA ROCHE INC. (US) 2014-11-04 US disclosed
EP-2582705-B1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2014-08-06 EP disclosed
US-8722683-B2 Benzodioxole piperazine compounds HOFFMANN LA-ROCHE INC. (US) 2014-05-13 US disclosed
EP-2680840-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-08 EP disclosed
EP-2675798-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-12-25 EP disclosed
US-8598357-B2 Benzodioxole piperidine compounds HOFFMANN-LA ROCHE INC. (US) 2013-12-03 US disclosed
WO-2012117001-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-07 WO disclosed
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-06 US disclosed
WO-2012110470-A1 NOVEL BENZODIOXOLE PIPERAZINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-23 WO disclosed
WO-2012080149-A1 NOVEL BENZOFURANE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20120157449-A1 BENZOFURANE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-06-21 US disclosed
WO-2012004206-A1 ANELLATED PYRIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 WO disclosed
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE INC. 2012-01-12 US disclosed
WO-2011161009-A1 ANELLATED PYRIDINE COMPOUNDS AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-29 WO disclosed
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 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 (4 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-20120157449-A1 BENZOFURANE COMPOUNDS HTR3A, HTR3C, HTR2A CHRM2 255/4885CHRM4 411/4885CHRM5 275/4885
US-20120225868-A1 NOVEL BENZODIOXOLE PIPERIDINE COMPOUNDS HTR2A, HTR2C, HTR1D CHRM2 125/4885CHRM4 397/4885CHRM5 236/4885
US-20120010201-A1 NOVEL ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A CHRM2 121/4885CHRM4 206/4885CHRM5 175/4885
US-20110313151-A1 ANELLATED PYRIDINE COMPOUNDS ADORA3, ADORA2A, HTR3A CHRM2 104/4885CHRM4 202/4885CHRM5 145/4885

“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.