SCHEMBL17675459

SCHEMBL17675459

O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.63
DRD4 P21917 5/20 0.62
DRD2 P14416 1/20 0.61
UBE2M P61081 1/20 0.60
DCUN1D1 Q96GG9 1/20 0.60
SLC6A5 Q9Y345 1/20 0.59
CCR3 P51677 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
SLC6A12 P48065 1/20 0.57
TMEM97 Q5BJF2 1/20 0.57
MCHR1 Q99705 1/20 0.57
POLB P06746 1/20 0.57

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 0.89 DRD4 (0.68) SIGMAR1DRD4DRD2SLC6A5CCR3
SCHEMBL20074561 0.87 SIGMAR1 (0.60) SIGMAR1DRD4DRD2UBE2MDCUN1D1
SCHEMBL7239441 0.84 CCR3 (0.72) SIGMAR1DRD4CCR3MEN1KMT2A
SCHEMBL6580655 0.83 HIF1A (0.56) SIGMAR1DRD4DRD2UBE2MDCUN1D1
SCHEMBL7214415 0.82 DRD4 (0.81) SIGMAR1DRD4DRD2SLC6A5MEN1
SCHEMBL17729934 0.81 CRHR1 (0.52) MEN1KMT2A
SCHEMBL62082 0.81 SLC6A5 (0.81) SIGMAR1DRD4DRD2SLC6A5MEN1
SCHEMBL14082643 0.80 DRD4 (0.67) SIGMAR1DRD4DRD2SLC6A5MEN1
Bicarbonate SCHEMBL7570498 0.79 MTTP (0.48) SIGMAR1DRD4DRD2UBE2MDCUN1D1
Bicarbonate SCHEMBL7568842 0.79 CCR3 (0.48) SIGMAR1DRD4SLC6A5CCR3SLC6A12

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10138206-B2 Amorphous form of lomitapide mesylate GLENMARK PHARMACEUTICALS LIMITED (IN) 2018-11-27 US disclosed
US-20170305858-A1 AMORPHOUS FORM OF LOMITAPIDE MESYLATE GLENMARK LIFE SCIENCES LIMITED (IN) 2017-10-26 US disclosed
WO-2016055934-A1 AMORPHOUS FORM OF LOMITAPIDE MESYLATE GLENMARK PHARMACEUTICALS LIMITED (IN) 2016-04-14 WO disclosed
CN-101838218-A Ester compound and pharmaceutical use of the same JAPAN TOBACCO INC 2010-09-22 CN disclosed
CN-1630629-B Ester compound and medical use thereof JAPAN TOBACCO INC 2010-05-05 CN disclosed
CN-1943786-A Ester compound and its medicinal application JAPAN TOBACCO INC (JP) 2007-04-11 CN disclosed
CN-1630629-A Ester compound and medical use thereof JAPAN TOBACCO INC (JP) 2005-06-22 CN 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-10138206-B2 Amorphous form of lomitapide mesylate LIPA, AUP1, LPXN SIGMAR1 2594/4885DRD4 4606/4885DRD2 4578/4885
US-20170305858-A1 AMORPHOUS FORM OF LOMITAPIDE MESYLATE LIPA, AUP1, LPXN SIGMAR1 2594/4885DRD4 4606/4885DRD2 4578/4885

“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.