SCHEMBL6777657

SCHEMBL6777657

O=C(Cl)C1(CCCCBr)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S100A4 P26447 1/20 0.36
MTTP P55157 2/20 0.34

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
SCHEMBL5863723 0.85 THRB (0.46) APEX1THRBTDP1MTTP
SCHEMBL5863866 0.84 APEX1 (0.40) APEX1THRBTDP1MTTP
Hydrochloric Acid SCHEMBL6777668 0.84 THRB (0.44) APEX1THRBTDP1MTTP
SCHEMBL6766827 0.83 P2RX4 (0.35)
SCHEMBL7045213 0.80 MTTP (0.39) APEX1MTTP
SCHEMBL6777664 0.79 PDK2 (0.40) APEX1THRBTDP1MTTP
SCHEMBL6766694 0.78 APEX1 (0.39) APEX1MTTP
SCHEMBL5863393 0.78 MTTP (0.47) MTTP
SCHEMBL5863337 0.78 GLA (0.40) MTTP
SCHEMBL7595150 0.77 APEX1 (0.37) APEX1THRBTDP1S100A4

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
WO-2016071849-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE HETERO RESEARCH FOUNDATION (IN) 2016-05-12 WO disclosed
US-6821967-B2 AMINES SUCH AS 9-(4-(4-(BENZOTHIAZOL-2-YL)-PIPERAZIN-1-YL)-BUTYL)-9H-FLUORENE-9-CARBOXYLIC ACID (2,2,2-TRIFLUOROETHYL) AMIDE, USED AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN ANTAGONISTS, TO PREVENT ATHEROSCLEROSIS OR HYPERLIPEMIA BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-11-23 US disclosed
US-6818644-B1 FLUORENE-9-CARBOXYLIC AMIDES; INHIBITORS OF MICROSOMAL TRIGLYSERIDE-TRANSFER PROTEIN (MTP); ANTILIPEMIC AGENTS; ATHEROSCLEROSIS, DIABETES, EATING DISORDERS, AND PANCREATITIS BOEHRINGER INGELHEIM PHARM GMBH & CO, KG (DE) 2004-11-16 US disclosed
US-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 US disclosed
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US disclosed
CN-1414956-A Substituted piperazine derivatives as MIP inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-30 CN 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A APEX1 3470/4885THRB 1383/4885TDP1 2302/4885
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC APEX1 4003/4885THRB 1353/4885TDP1 1667/4885

“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.