SCHEMBL6776201

SCHEMBL6776201

O=C(O)CCNC(=O)C1(CCCCN2CCN(c3ccc4ccccc4n3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.55
DRD2 P14416 4/20 0.55
HTR1A P08908 9/20 0.53
HTR2A P28223 2/20 0.47
HTR2C P28335 1/20 0.47
HTR3A P46098 4/20 0.45
SLC6A4 P31645 1/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 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
SCHEMBL6766799 0.92 HTR1A (0.54) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6776976 0.92 DRD3 (0.50) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6771424 0.91 DRD3 (0.54) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6767936 0.91 HTR1A (0.53) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6770085 0.90 HTR1A (0.52) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6769621 0.90 HTR1A (0.53) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6766926 0.89 HTR1A (0.55) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6766272 0.88 DRD3 (0.52) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6770307 0.88 HTR1A (0.55) DRD3DRD2HTR1AHTR2AHTR2C
SCHEMBL6766384 0.87 DRD3 (0.53) DRD3DRD2HTR1A

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 2928/4885DRD2 3337/4885HTR1A 1523/4885

“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.