SCHEMBL6770138

SCHEMBL6770138

COc1ccc(CNC(=O)C2(CCCCN3CCN(c4ncc5ccccc5n4)CC3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.46
HTR7 P34969 15/20 0.46
DRD2 P14416 6/20 0.46
HTR6 P50406 6/20 0.46
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42

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
SCHEMBL6769580 0.90 HTR1A (0.44) HTR1AHTR7DRD2SLC6A2HTR2A
SCHEMBL6770007 0.88 SLC6A2 (0.49) HTR1AHTR7DRD2HTR6SLC6A2
SCHEMBL6771329 0.84 ALDH1A1 (0.49) HTR1AHTR7DRD2HTR6SLC6A2
SCHEMBL6770801 0.83 MTTP (0.51) SLC6A2DRD3
SCHEMBL6769569 0.83 RAB9A (0.55) HTR1AHTR7DRD2HTR6
SCHEMBL6794870 0.82 HTR1A (0.54) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6767142 0.81 RAB9A (0.52) HTR1AHTR7DRD2HTR6SLC6A4
SCHEMBL6770740 0.81 HTR1A (0.49) HTR1AHTR7DRD2HTR6HTR2A
SCHEMBL6772366 0.81 MTTP (0.49) SLC6A2DRD3
SCHEMBL6769811 0.80 DRD3 (0.51) HTR1ADRD2SLC6A2SLC6A4HTR2A

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 1523/4885HTR7 2731/4885DRD2 3337/4885

“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.