SCHEMBL6969974

SCHEMBL6969974

CCCCN(C)C(=O)c1cc(C(=O)Cl)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.47
LTB4R2 Q9NPC1 5/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCL1 Q07820 1/20 0.40
ALOX5 P09917 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
SCHEMBL3239000 0.91 LTB4R (0.51) LTB4RLTB4R2TRPM8KDM4ELMNA
SCHEMBL3766462 0.88 LTB4R (0.46) LTB4RLTB4R2TRPM8KDM4ELMNA
SCHEMBL3769865 0.83 LTB4R (0.53) LTB4RLTB4R2TRPM8KDM4EALDH1A1
SCHEMBL27788715 0.82 LTB4R (0.57) LTB4RLTB4R2TRPM8HPGD
SCHEMBL3243617 0.79 HSP90B1 (0.43) LTB4RLTB4R2TRPM8KDM4ELMNA
SCHEMBL3768292 0.78 FOLH1 (0.51) LTB4RLTB4R2KDM4EALDH1A1L3MBTL1
SCHEMBL3246757 0.77 NAMPT (0.40) LTB4RLTB4R2TRPM8KDM4ELMNA
SCHEMBL6969523 0.77 TRAP1 (0.47) LTB4RLTB4R2TRPM8KDM4ELMNA
SCHEMBL3764722 0.76 HPGD (0.55) LTB4RLTB4R2GAAHPGDMEN1
SCHEMBL645349 0.76 TRPM8 (0.42) TRPM8LMNAALDH1A1MCL1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181092-B1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-8183279-B2 1,3-dihydroisoindole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-05-22 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
US-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-12-09 US disclosed
WO-2009030316-A1 1,3-DIHYDROISOINDOLE DERIVATIVES MERCK PATENT GMBH (DE) 2009-03-12 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 (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-20100311745-A1 1,3-DIHYDROISOINDOLE DERIVATIVES HSP90AB1, HSP90AA1, HSP90AB2P LTB4R 3784/4885LTB4R2 3539/4885TRPM8 3199/4885

“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.