SCHEMBL6347249

SCHEMBL6347249

COc1ccc(C(=O)N(CC(=O)N2CCC(Oc3ccccn3)CC2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
PTGIR P43119 1/20 0.46
EPHX2 P34913 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6347285 0.91 POLB (0.51) EPHX2TRPM8POLBMEN1KMT2A
SCHEMBL6346963 0.89 ACHE (0.52) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6354271 0.88 ACHE (0.52) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6347280 0.87 MAPT (0.48) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6346334 0.85 ALDH1A1 (0.48) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6346311 0.84 ACHE (0.51) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6344309 0.84 ACHE (0.48) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6345696 0.83 ACHE (0.48) ACHEPTGIRPOLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6354143 0.82 ACHE (0.46) ACHEPTGIREPHX2POLBMEN1
SCHEMBL6347242 0.82 KDM4E (0.43) EPHX2POLBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481811-B1 INDUSTRIAL PROCESS FOR THE PREPARATION OF CARIPRAZINE RICHTER GEDEON NYRT (HU) 2022-05-25 EP claimed
EP-1063235-B1 BENZOFURYLPYRONE DERIVATIVES TEIJIN LTD (JP) 2004-05-12 EP claimed
EP-0114128-B1 3-AMINO-2-OXO-AZETIDINE DERIVATIVES CONTAINING IN POSITION 1 A NITROGEN HETEROCYCLIC RADICAL, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTICAL AGENTS AND INTERMEDIATES FOR THEIR PREPARATION ROUSSEL-UCLAF (FR) 1989-03-22 EP claimed
EP-0198412-B1 PHENETHANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-22 EP claimed
EP-0003814-B1 PENICILLINS, THEIR SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1981-12-16 EP claimed
US-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 US disclosed
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
EP-0114128-B1 3-AMINO-2-OXO-AZETIDINE DERIVATIVES CONTAINING IN POSITION 1 A NITROGEN HETEROCYCLIC RADICAL, PROCESS FOR THEIR PREPARATION, THEIR USE AS THERAPEUTICAL AGENTS AND INTERMEDIATES FOR THEIR PREPARATION ROUSSEL-UCLAF (FR) 1989-03-22 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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 ACHE 1821/4885PTGIR 1107/4885EPHX2 1259/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 ACHE 2174/4885PTGIR 1232/4885EPHX2 1576/4885

“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.