Sugi Predict

Sugi Predict / Compounds / SCHEMBL3731091

SCHEMBL3731091

SCHEMBL3731091

O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 5/20 0.68
▸ DRD2 P14416 1/20 0.68
▸ SIGMAR1 Q99720 5/20 0.67
▸ SLC6A5 Q9Y345 1/20 0.62
▸ CCR3 P51677 1/20 0.62
▸ POLB P06746 1/20 0.61
▸ CHRM4 P08173 1/20 0.61
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SLC6A12 P48065 1/20 0.58
▸ TMEM97 Q5BJF2 1/20 0.58
▸ MCHR1 Q99705 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ TBXA2R P21731 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58

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
SCHEMBL20074561 0.92 SIGMAR1 (0.60) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL6715536 0.90 SLC6A5 (0.65) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL7239441 0.89 CCR3 (0.72) DRD4SIGMAR1CCR3POLBMEN1
Hydrochloric Acid SCHEMBL6715783 0.89 SLC6A5 (0.64) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL17675459 0.89 SIGMAR1 (0.63) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL3731129 0.88 MTTP (0.59) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL13580486 0.87 CCR3 (0.67) DRD4SIGMAR1CCR3POLBMEN1
SCHEMBL6715786 0.87 CCR3 (0.62) DRD4SIGMAR1SLC6A5CCR3POLB
Fumaric Acid SCHEMBL6713953 0.87 SLC6A5 (0.59) DRD4DRD2SIGMAR1SLC6A5CCR3
SCHEMBL7214415 0.86 DRD4 (0.81) DRD4DRD2SIGMAR1SLC6A5CHRM4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934251-B2 Process for the preparation of lomitapide HETERO RESEARCH FOUNDATION (IN) 2021-03-02 — — US disclosed
US-10934251-B2 Process for the preparation of lomitapide HETERO RESEARCH FOUNDATION (IN) 2021-03-02 — — US disclosed
US-20200190018-A1 Process For The Preparation of Lomitapide HETERO RESEARCH FOUNDATION (IN) 2020-06-18 — — US disclosed
US-20200190018-A1 Process For The Preparation of Lomitapide HETERO RESEARCH FOUNDATION (IN) 2020-06-18 — — US disclosed
US-20180291773-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE HETERO RESEARCH FOUNDATION (IN) 2018-10-11 — — US disclosed
US-10023526-B2 Process for the preparation of lomitapide HETERO RESEARCH FOUNDATION 2018-07-17 — — US disclosed
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
US-20180105487-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE HETERO RESEARCH FOUNDATION (IN) 2018-04-19 — — US disclosed
EP-3215490-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE Hetero Research Foundation (IN) 2017-09-13 — — EP disclosed
WO-2015121877-A2 POLYMORPHS OF LOMITAPIDE AND ITS SALTS HETERO RESEARCH FOUNDATION (IN) 2015-08-20 — — WO disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 — — US disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 — — US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 — — EP disclosed
US-6617325-B1 Inhibitors of the microsomal triglyceride-transfer protein BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-09 — — 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 (6 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-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP DRD4 2704/4885DRD2 3018/4885SIGMAR1 862/4885
US-20180105487-A1 PROCESS FOR THE PREPARATION OF LOMITAPIDE LIPA, LPAR4, CETP DRD4 2295/4885DRD2 2739/4885SIGMAR1 1668/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP DRD4 2963/4885DRD2 3079/4885SIGMAR1 1066/4885
US-10023526-B2 Process for the preparation of lomitapide LIPA, LPAR4, CETP DRD4 2295/4885DRD2 2739/4885SIGMAR1 1668/4885
US-20200190018-A1 Process For The Preparation of Lomitapide LIPA, LPAR4, CETP DRD4 2295/4885DRD2 2739/4885SIGMAR1 1668/4885
US-10934251-B2 Process for the preparation of lomitapide LIPA, LPAR4, CETP DRD4 2295/4885DRD2 2739/4885SIGMAR1 1668/4885

“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.