SCHEMBL6772435

SCHEMBL6772435

COc1ccc(CNC(=O)C2(CCCCN3[C@H](C)CN(c4ccc5ccccc5n4)C[C@@H]3C)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.46
HTR1A P08908 5/20 0.41
SLC6A4 P31645 4/20 0.41
HTT P42858 1/20 0.38
HDAC1 Q13547 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SLC6A2 P23975 1/20 0.37
USP2 O75604 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
ACACB O00763 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HBB P68871 1/20 0.36

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
SCHEMBL6771750 0.91 HTR1A (0.42) PDE10AHTR1ASLC6A4HTTPKM
SCHEMBL6770210 0.90 PDE10A (0.36) PDE10AHTR1AHTTHDAC1KMT2A
SCHEMBL6769399 0.87 HTR1A (0.40) PDE10AHTR1ASLC6A4
SCHEMBL6770007 0.87 SLC6A2 (0.49) HTR1ASLC6A4SLC6A2
SCHEMBL6770504 0.84 MTTP (0.45) HTR1ASLC6A4SLC6A2
SCHEMBL6793958 0.82 CHRM4 (0.40) HTR1AMAPTALDH1A1
SCHEMBL6771359 0.81 HTR1A (0.55) HTR1ASLC6A4HTT
SCHEMBL6767421 0.81 MAPT (0.37) HTR1ASLC6A4KMT2AMEN1MAPT
SCHEMBL6769811 0.80 DRD3 (0.51) HTR1ASLC6A4SLC6A2
SCHEMBL6769386 0.79 POLB (0.36) PDE10AHTTHDAC1PKMKDM4E

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 PDE10A 2942/4885HTR1A 1523/4885SLC6A4 2860/4885

“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.