SCHEMBL4128095

SCHEMBL4128095

Cc1cc2c(cc1C)C(C(C=O)N1CCN(C)CC1)N(c1cccc(F)c1)C2=O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
ALOX5 P09917 1/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CACNA1H O95180 4/20 0.31
GRM2 Q14416 1/20 0.31
CACNA2D1 P54289 1/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2C9 P11712 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TSHR P16473 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL4123135 0.78 NPC1 (0.32)
SCHEMBL4115233 0.75 NPC1 (0.34) SLC6A2SLC6A4SLC6A3CYP2D6HPGD
SCHEMBL3745282 0.75 ATM (0.43) KMT2ACACNA2D1CYP2D6CYP2C19CYP2C9
SCHEMBL4128092 0.74 ADAMTS5 (0.39) KMT2ACYP2D6CYP2C19CYP2C9
SCHEMBL4117410 0.73 FAAH (0.41) KMT2ACACNA2D1CYP2D6CYP2C19CYP2C9
SCHEMBL4109186 0.73 GAA (0.41) KMT2A
SCHEMBL4124067 0.72 NPC1 (0.34) ACHEKMT2ACYP2C19CYP2C9HPGD
SCHEMBL4127465 0.71 MEN1 (0.42) HSD11B1ALOX5KMT2AGRM2TSHR
SCHEMBL4122815 0.69 MC4R (0.30)
SCHEMBL4110694 0.69 NOTUM (0.40) HSD11B1ALOX5ACHEHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 EP 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 HSD11B1 1639/4885ALOX5 695/4885ACHE 114/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 HSD11B1 2526/4885ALOX5 1641/4885ACHE 314/4885

“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.