SCHEMBL6771083

SCHEMBL6771083

COc1ccc2nc(N3CCN(CCCCC4(C(=O)NCC(F)(F)F)c5ccccc5Oc5ccccc54)CC3)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.42
DRD3 P35462 8/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
MTTP P55157 2/20 0.40
SLC6A2 P23975 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MTR Q99707 1/20 0.40
DRD2 P14416 5/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL6771176 0.92 MTTP (0.47) HTR1ADRD3HTR2AHTR2CMTTP
SCHEMBL6770583 0.91 HTR3A (0.41) HTR1ADRD3HTR2AHTR2CMTTP
SCHEMBL6776377 0.90 DRD3 (0.42) HTR1ADRD3MTTPSLC6A2CHRM2
SCHEMBL7598985 0.89 HTR1A (0.41) HTR1ADRD3HTR2AHTR2CSLC6A2
SCHEMBL6770160 0.89 DRD3 (0.41) HTR1ADRD3MTTPSLC6A2CHRM2
SCHEMBL6770156 0.89 MTTP (0.47) HTR1ADRD3MTTPSLC6A2CHRM2
SCHEMBL6770686 0.89 DRD3 (0.41) HTR1ADRD3MTTPSLC6A2CHRM2
SCHEMBL6766410 0.89 DRD3 (0.48) HTR1ADRD3HTR2AHTR2CMTTP
SCHEMBL6771131 0.86 DRD3 (0.39) HTR1ADRD3HTR2AHTR2CMTTP
SCHEMBL6770665 0.86 DRD3 (0.46) HTR1ADRD3HTR2AMTTPSLC6A2

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 2 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

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 1523/4885DRD3 2928/4885HTR2A 2861/4885

“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.