SCHEMBL6771176

SCHEMBL6771176

COc1ccc2nc(N3CCN(CCCCC4(C(=O)NCC(F)(F)F)c5ccccc5-c5ccccc54)CC3)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTTP P55157 3/20 0.47
DRD3 P35462 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRM1 P35372 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
MTR Q99707 1/20 0.47
HTR1A P08908 4/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 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
SCHEMBL6771083 0.92 HTR1A (0.42) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6770308 0.90 MTTP (0.49) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6770074 0.89 MTTP (0.49) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL7599613 0.89 HTR1A (0.43) DRD3SLC6A2HTR1AHTR2AHTR2C
SCHEMBL6770349 0.89 MTTP (0.56) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6772027 0.89 MTTP (0.49) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6767547 0.89 MTTP (0.49) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6766384 0.88 DRD3 (0.53) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6770788 0.86 HTR1A (0.59) MTTPDRD3CHRM2ADRA2AADORA3
SCHEMBL6772645 0.86 MTTP (0.47) MTTPDRD3CHRM2ADRA2AADORA3

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 MTTP 1/4885DRD3 2928/4885CHRM2 2552/4885

“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.