SCHEMBL6771834

SCHEMBL6771834

O=C(NCC(F)(F)F)C1(CCCCN2CCNCC2)c2ccccc2-c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTTP P55157 6/20 0.60
CHRM2 P08172 1/20 0.60
ADRA2A P08913 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CHRM1 P11229 1/20 0.60
DRD1 P21728 1/20 0.60
TBXA2R P21731 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRM1 P35372 1/20 0.60
DRD3 P35462 1/20 0.60
SLC6A3 Q01959 1/20 0.60
KCNH2 Q12809 1/20 0.60
MTR Q99707 1/20 0.60

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
SCHEMBL7049994 0.96 MTTP (0.57) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7046523 0.89 MTTP (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7596509 0.88 MTTP (0.61) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7046515 0.87 MTTP (0.57) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL17729933 0.86 MTTP (0.65) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL16312430 0.86 MTTP (0.65) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL6791508 0.86 MTTP (0.58) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7037447 0.85 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1
Hydrochloric Acid SCHEMBL18952720 0.85 MTTP (0.64) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL17742237 0.84 MTTP (0.67) MTTPCHRM2ADRA2AADORA3CHRM1

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 3 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
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 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 (2 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 1/4885CHRM2 2552/4885ADRA2A 710/4885
US-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC MTTP 1/4885CHRM2 4129/4885ADRA2A 966/4885

“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.