SCHEMBL6769811

SCHEMBL6769811

COc1cccc(CNC(=O)C2(CCCCN3CCN(c4ccc5ccccc5n4)CC3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 8/20 0.51
HTR1A P08908 6/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 3/20 0.51
DRD2 P14416 7/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD4 P21917 2/20 0.43
CCKAR P32238 1/20 0.42
SMYD2 Q9NRG4 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
SCHEMBL6770007 0.92 SLC6A2 (0.49) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6770680 0.90 MEN1 (0.48) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6769621 0.89 HTR1A (0.53) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6771841 0.89 DRD3 (0.46) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL7601341 0.89 DRD3 (0.50) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6771002 0.86 HTR1A (0.49) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6767367 0.85 DRD3 (0.48) DRD3HTR1AHTR2ADRD2DRD4
SCHEMBL6766415 0.85 HTR1A (0.51) DRD3HTR1AHTR2AHTR2CDRD2
SCHEMBL6766578 0.85 HTR1A (0.51) DRD3HTR1AHTR2ADRD2SLC6A4
SCHEMBL6770052 0.84 HTR1A (0.52) DRD3HTR1AHTR2AHTR2CDRD2

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 DRD3 2928/4885HTR1A 1523/4885HTR2A 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.