SCHEMBL6678822

SCHEMBL6678822

CC1CCCN(c2ccc(CN)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ PRKDC P78527 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAP4K4 O95819 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL6712387 0.81 KDM4E (0.54) KDM4EHTTKMT2AMEN1GAA
SCHEMBL26326854 0.80 MAPT (0.49) KDM4EHTTKMT2AMEN1GAA
SCHEMBL26326846 0.80 MAPT (0.49) KDM4EHTTKMT2AMEN1GAA
SCHEMBL4027191 0.80 USP2 (0.53) KDM4EHTTKMT2AMEN1GAA
SCHEMBL23515036 0.79 NPC1 (0.45) KDM4EHTTJAK3PRKDCALDH1A1
SCHEMBL19618204 0.79 HPGD (0.42) KDM4EHTTKMT2AMEN1GAA
SCHEMBL15383528 0.78 KDM4E (0.57) KDM4EHTTKMT2AMEN1PRKDC
SCHEMBL939817 0.78 KDM4E (0.49) KDM4EHTTKMT2AMEN1GAA
SCHEMBL31145170 0.78 KDM4E (0.57) KDM4EHTTKMT2AMEN1PRKDC
SCHEMBL10662242 0.78 MAPT (0.52) KDM4EHTTKMT2AMEN1ALDH1A1

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 KDM4E 4449/4885HTT 1297/4885KMT2A 4321/4885
US-20030073836-A1 Heteroarylcarboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions MTTP, CETP, CES1 KDM4E 1812/4885HTT 1259/4885KMT2A 2209/4885

“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.

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