SCHEMBL6777664

SCHEMBL6777664

O=C(O)C1(CCCCBr)c2ccccc2-c2cccc(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.40
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APEX1 P27695 1/20 0.37
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD2 P14416 1/20 0.32
GSK3B P49841 1/20 0.32
MTTP P55157 1/20 0.32

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 0.86 THRB (0.46) PDK2THRBTDP1APEX1GSK3B
Hydrochloric Acid SCHEMBL6777668 0.84 THRB (0.44) PDK2THRBTDP1APEX1GSK3B
SCHEMBL6766815 0.80 THRB (0.34) THRBTDP1APEX1KMT2A
SCHEMBL6766699 0.79 PDK2 (0.40) PDK2THRBTDP1APEX1KMT2A
SCHEMBL6777657 0.79 APEX1 (0.40) THRBTDP1APEX1MTTP
SCHEMBL6769789 0.78 AKR1C1 (0.35) THRBTDP1APEX1KMT2AMTTP
SCHEMBL6766347 0.78 APEX1 (0.35) PDK2THRBTDP1APEX1
SCHEMBL17742236 0.78 THRB (0.53) THRBTDP1APEX1KMT2AMTTP
Propionamide SCHEMBL27574379 0.77 THRB (0.38) THRBTDP1APEX1KMT2AMTTP
SCHEMBL5863866 0.76 APEX1 (0.40) PDK2THRBTDP1APEX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PDK2 2794/4885THRB 1383/4885TDP1 2302/4885
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC PDK2 2312/4885THRB 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.