SCHEMBL6766394

SCHEMBL6766394

O=C(O)C1(CCCCBr)c2ccccc2Oc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.34
ALOX5 P09917 2/20 0.34
PTPN1 P18031 2/20 0.33
GSK3B P49841 2/20 0.33
HTR2A P28223 2/20 0.33
HRH1 P35367 2/20 0.33
APEX1 P27695 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
REN P00797 1/20 0.31
GRM2 Q14416 2/20 0.31
CHRM2 P08172 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
AKR1B1 P15121 1/20 0.31
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
CYP2C9 P11712 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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 SCHEMBL6766830 0.98 ALOX5 (0.33) P2RX4ALOX5PTPN1GSK3BHTR2A
SCHEMBL5863624 0.95 ALOX5 (0.35) P2RX4ALOX5PTPN1GSK3BHTR2A
SCHEMBL6766827 0.87 P2RX4 (0.35) P2RX4ALOX5REN
SCHEMBL4747072 0.83 ALOX5 (0.35) P2RX4ALOX5HTR2AHRH1APEX1
SCHEMBL4743630 0.83 ALOX5 (0.35) P2RX4ALOX5GSK3BHTR2AHRH1
SCHEMBL5863723 0.83 THRB (0.46) PTPN1GSK3BAPEX1THRBTDP1
SCHEMBL6650308 0.82 HDAC1 (0.42) P2RX4TDP1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL6777668 0.81 THRB (0.44) PTPN1GSK3BAPEX1THRBTDP1
Bromomethane SCHEMBL15709779 0.80 ALOX5 (0.35) P2RX4ALOX5HTR2AHRH1APEX1
SCHEMBL5863303 0.79 CD69 (0.35) PTPN1GSK3BHTR2AAPEX1THRB

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 8 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-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
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
EP-1255736-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) Boehringer Ingelheim Pharma KG (DE) 2002-11-13 EP disclosed
WO-2001047898-A2 SUBSTITUTED PIPERAZINE DERIVATIVES AND THEIR USE AS INHIBITORS OF THE MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments MTTP, CETP, CPT1A P2RX4 1433/4885ALOX5 2867/4885PTPN1 1891/4885
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC P2RX4 2084/4885ALOX5 3014/4885PTPN1 1006/4885

“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.