SCHEMBL20074561

SCHEMBL20074561

O=C(NC1CCN(Cc2cc(C(F)(F)F)ccc2-c2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.60
DRD4 P21917 4/20 0.59
DRD2 P14416 1/20 0.58
CCR3 P51677 1/20 0.56
SLC6A5 Q9Y345 1/20 0.54
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
CHRM4 P08173 1/20 0.53
POLB P06746 1/20 0.52
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51

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
SCHEMBL3731091 0.92 DRD4 (0.68) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL17675459 0.87 SIGMAR1 (0.63) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL6715536 0.82 SLC6A5 (0.65) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL7239441 0.82 CCR3 (0.72) SIGMAR1DRD4CCR3POLB
Hydrochloric Acid SCHEMBL6715783 0.81 SLC6A5 (0.64) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL3731129 0.81 MTTP (0.59) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL13580486 0.80 CCR3 (0.67) SIGMAR1DRD4CCR3POLB
SCHEMBL6715786 0.80 CCR3 (0.62) SIGMAR1DRD4CCR3SLC6A5CHRM4
Fumaric Acid SCHEMBL6713953 0.80 SLC6A5 (0.59) SIGMAR1DRD4DRD2CCR3SLC6A5
SCHEMBL6714001 0.79 DRD4 (0.57) SIGMAR1DRD4DRD2CCR3SLC6A5

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-10023526-B2 Process for the preparation of lomitapide HETERO RESEARCH FOUNDATION 2018-07-17 US disclosed
US-20180105487-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE HETERO RESEARCH FOUNDATION (IN) 2018-04-19 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-20180105487-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE LIPA, LPAR4, CETP SIGMAR1 1668/4885DRD4 2295/4885DRD2 2739/4885
US-10023526-B2 Process for the preparation of lomitapide LIPA, LPAR4, CETP SIGMAR1 1668/4885DRD4 2295/4885DRD2 2739/4885

“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.