SCHEMBL6766281

SCHEMBL6766281

CCOc1cccc2ccc(N3CCN(Cc4ccccc4)CC3)cc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.60
DRD2 P14416 5/20 0.60
DRD3 P35462 5/20 0.60
POLB P06746 2/20 0.50
HRH3 Q9Y5N1 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46

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
SCHEMBL6770337 0.79 DRD2 (0.63) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL6776973 0.79 HTR5A (0.52) DRD2HTR1AHTR1DHTR1B
SCHEMBL6232404 0.77 KMT2A (0.71) DRD4DRD2DRD3KMT2A
SCHEMBL10482671 0.72 DRD4 (0.55) DRD4DRD2DRD3ALDH1A1KMT2A
SCHEMBL15938315 0.71 DRD2 (0.79) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL9080839 0.71 DRD4 (0.55) DRD4DRD2DRD3POLBKDM4E
SCHEMBL11065126 0.70 DRD2 (0.58) DRD4DRD2DRD3HRH3GAA
SCHEMBL6229512 0.70 MAPT (0.62) DRD4DRD2DRD3POLBKDM4E
SCHEMBL6231809 0.70 LMNA (0.59) DRD4DRD2POLBKDM4EALDH1A1
SCHEMBL27528198 0.70 KMT2A (0.59) DRD4DRD2DRD3KDM4EALDH1A1

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-20030166637-A1 Substituted piperazine derivatives, the preparation thereofand their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-04 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 DRD4 3537/4885DRD2 3337/4885DRD3 2928/4885

“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.