SCHEMBL6771329

SCHEMBL6771329

COc1ccc(CNC(=O)C2(CCCCN3CCN(c4nc5ccccc5n4C)CC3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HTR1A P08908 12/20 0.46
HTR7 P34969 11/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
DRD2 P14416 5/20 0.45
HTR6 P50406 5/20 0.45
HSD11B1 P28845 1/20 0.45
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
GFER P55789 1/20 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
SCHEMBL6771866 0.93 ALDH1A1 (0.58) ALDH1A1HTR1AHTR7DRD2
SCHEMBL6766930 0.90 ALDH1A1 (0.51) ALDH1A1HTR1AHTR7LMNASLC6A2
SCHEMBL7601057 0.89 ALDH1A1 (0.48) ALDH1A1HTR1AHTR7LMNAMAPT
SCHEMBL6771032 0.87 ALDH1A1 (0.46) ALDH1A1LMNASLC6A2
SCHEMBL6770007 0.86 SLC6A2 (0.49) HTR1AHTR7DRD2HTR6SLC6A2
SCHEMBL6777257 0.85 ALDH1A1 (0.45) ALDH1A1SLC6A2
SCHEMBL6770138 0.84 HTR1A (0.46) HTR1AHTR7DRD2HTR6SLC6A2
SCHEMBL6769569 0.84 RAB9A (0.55) HTR1AHTR7MAPTDRD2HTR6
SCHEMBL6771800 0.84 ALDH1A1 (0.43) ALDH1A1HTR1AHTR7LMNAMAPT
SCHEMBL6769807 0.84 MTTP (0.54) SLC6A2

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 ALDH1A1 715/4885HTR1A 1523/4885HTR7 2731/4885

“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.