SCHEMBL6770405

SCHEMBL6770405

O=C(N1CCOCC1)C1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
DRD3 P35462 6/20 0.51
DRD2 P14416 5/20 0.51
HTR3A P46098 3/20 0.44
DRD4 P21917 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTR2A P28223 2/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL6777471 0.92 HTR1A (0.57) HTR1AKDM4EALDH1A1RECQLDRD3
SCHEMBL6771469 0.91 KDM4E (0.51) HTR1AKDM4EALDH1A1RECQLDRD3
SCHEMBL6766926 0.83 HTR1A (0.55) HTR1AKDM4EALDH1A1DRD3DRD2
SCHEMBL6770307 0.81 HTR1A (0.55) HTR1AKDM4EALDH1A1DRD3DRD2
SCHEMBL6766799 0.80 HTR1A (0.54) HTR1AKDM4EALDH1A1DRD3DRD2
SCHEMBL6769621 0.80 HTR1A (0.53) HTR1AKDM4EALDH1A1DRD3DRD2
SCHEMBL6767936 0.80 HTR1A (0.53) HTR1ADRD3DRD2HRH3HTR2A
SCHEMBL6776201 0.80 DRD3 (0.55) HTR1AKDM4EALDH1A1DRD3DRD2
SCHEMBL6766384 0.79 DRD3 (0.53) HTR1ADRD3DRD2
SCHEMBL6769843 0.79 HTR1A (0.52) HTR1ADRD3DRD2HTR3AHRH3

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 HTR1A 1523/4885KDM4E 3253/4885ALDH1A1 715/4885

“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.