SCHEMBL6677219

SCHEMBL6677219

NCc1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.37
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
C5AR1 P21730 2/20 0.33
MAOB P27338 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
ESR1 P03372 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
PDE10A Q9Y233 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
ABAT P80404 1/20 0.31
LTA4H P09960 1/20 0.31

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
Hydrochloric Acid SCHEMBL253113 0.98 ESR2 (0.36) ESR2IKBKETBK1DDB1CRBN
SCHEMBL14403053 0.86 ESR2 (0.42) ESR2IKBKETBK1TMEM97SIGMAR1
SCHEMBL1780897 0.83 ESR2 (0.44) ESR2IKBKETBK1TMEM97SIGMAR1
SCHEMBL8990466 0.82 ESR2 (0.39) ESR2IKBKETBK1TMEM97SIGMAR1
SCHEMBL1399819 0.81 IKBKE (0.40) ESR2IKBKETBK1DDB1CRBN
SCHEMBL8451083 0.81 SPHK1 (0.43) C5AR1SPHK1
SCHEMBL10131989 0.78 IKBKE (0.38) ESR2IKBKETBK1C5AR1
SCHEMBL4582740 0.78 HRH3 (0.48) ESR2HRH3SPHK1ESR1LOXL2
SCHEMBL7292956 0.77 ESR2 (0.37) ESR2IKBKETBK1MAOBESR1
SCHEMBL13832594 0.77 POLB (0.44) ESR2C5AR1

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
EP-1465613-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-10-13 EP disclosed
US-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-08-28 US disclosed
WO-2003057205-A2 COMBINATION OF MTP INHIBITORS OR APOB SECRETION INHIBITORS WITH FIBRATES FOR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-07-17 WO disclosed
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-17 US disclosed
WO-2003004020-A1 HETEROARYL CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE OF THE SAME AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-01-16 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 (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-20030162788-A1 Combination of MTP inhibitors or apoB-secretion inhibitors with fibrates for use as pharmaceuticals APOB, LIPC, MTPN ESR2 2097/4885IKBKE 1432/4885TBK1 616/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 ESR2 3289/4885IKBKE 1961/4885TBK1 2334/4885

“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.