SCHEMBL7051966

SCHEMBL7051966

O=C(Cc1ccccc1)N1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3Oc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTTP P55157 4/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
MTR Q99707 1/20 0.46
SIGMAR1 Q99720 3/20 0.44
HSD11B1 P28845 1/20 0.41
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7037447 0.90 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7051107 0.87 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7045205 0.87 MTTP (0.53) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7046523 0.86 MTTP (0.49) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7608680 0.86 SIGMAR1 (0.43) SIGMAR1HSD11B1ALDH1A1
SCHEMBL7052073 0.86 MTTP (0.58) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7049214 0.85 MTTP (0.55) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7045209 0.84 MTTP (0.45) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7049146 0.84 MTTP (0.56) MTTPCHRM2ADRA2AADORA3CHRM1
SCHEMBL7036252 0.84 MTTP (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-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.