SCHEMBL4812903

SCHEMBL4812903

COC(=O)C1(NC(=O)c2ccc(Cl)c(N)c2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DGAT2 Q96PD7 1/20 0.45
CTSL P07711 2/20 0.42
CTSK P43235 2/20 0.42
CTSS P25774 1/20 0.42
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
LPAR1 Q92633 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRM1 P35372 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HDAC1 Q13547 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
MAPK1 P28482 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1811403 0.82 DGAT2 (0.47) DGAT2CTSLCTSKCTSSALDH1A1
SCHEMBL14085366 0.81 LMNA (0.51) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL1812523 0.78 DGAT2 (0.44) SMN1; SMN2DGAT2CTSLCTSKCTSS
SCHEMBL14110027 0.78 KDM4E (0.46) KDM4ELMNASMN1; SMN2CTSLCTSK
SCHEMBL10490451 0.73 KDM4E (0.48) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL2917926 0.73 NPC1 (0.48) DGAT2CTSLCTSKCTSSHDAC1
SCHEMBL1810644 0.72 ALDH1A1 (0.52) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL1811633 0.72 PDE4D (0.47) DGAT2LPAR1HDAC1
SCHEMBL1841568 0.71 CNR2 (0.52) KDM4ELMNASMN1; SMN2HPGDALDH1A1
SCHEMBL1838271 0.71 CTSL (0.48) DGAT2CTSLCTSKCTSSLPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
US-7851625-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-14 US disclosed
US-7642352-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-7642352-B2 Process for preparing 2,3-disubstituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-05 US disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-22 US disclosed
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed
US-7408076-B2 2-Bromoanaline and 2-chloroaniline compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-05 US disclosed
US-20060287376-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US disclosed
EP-1727796-A2 PALLADIUM CATALYZED INDOLIZATION OF 2-BROMO OR CHLOROANILINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-06 EP disclosed
US-7126009-B2 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-10-24 US disclosed
WO-2005090302-A2 PALLADIUM CATALYZED INDOLIZATION OF 2-BROMO OR CHLOROANILINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-29 WO disclosed
US-20050209465-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 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 (3 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-20050209465-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines IDO1, IDO2, TDO2 KDM4E 3700/4885LMNA 4298/4885SMN1; SMN2 4754/4885
US-20090264655-A1 PROCESS FOR PREPARING 2,3-DISUBSTITUTED INDOLES DCLK2, DCLK1, TTL KDM4E 3298/4885LMNA 2277/4885SMN1; SMN2 4289/4885
US-20060287376-A1 Palladium catalyzed indolization of 2-bromo or chloroanilines IDO1, IDO2, DRD3 KDM4E 2207/4885LMNA 4264/4885SMN1; SMN2 4512/4885

“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.