SCHEMBL6772970

SCHEMBL6772970

C[C@@H]1CN(c2ccc3ccccc3n2)CCN1CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.57
SLC6A4 P31645 3/20 0.57
MTTP P55157 4/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD1 P21728 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
MTR Q99707 1/20 0.45

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
SCHEMBL6778324 1.00 HTR1A (0.57) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6771274 0.92 HTR1A (0.51) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6770504 0.90 MTTP (0.45) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6770078 0.88 MTTP (0.44) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6770083 0.88 MTTP (0.44) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6771359 0.88 HTR1A (0.55) HTR1ASLC6A4DRD3
SCHEMBL7596131 0.87 HTR1A (0.55) HTR1ASLC6A4DRD3
SCHEMBL7601438 0.87 HTR1A (0.55) HTR1ASLC6A4DRD3
SCHEMBL6801007 0.86 MTTP (0.44) HTR1ASLC6A4MTTPCHRM2ADRA2A
SCHEMBL6801009 0.86 MTTP (0.44) HTR1ASLC6A4MTTPCHRM2ADRA2A

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 HTR1A 1523/4885SLC6A4 2860/4885MTTP 1/4885

“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.