SCHEMBL564412

SCHEMBL564412

CC(C(=O)O)c1ccc(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.44
APP P05067 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CXCL8 P10145 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
NR3C2 P08235 2/20 0.41
MDM4 O15151 1/20 0.41

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
SCHEMBL24875683 0.87 PSEN1 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL30192806 0.87 PSEN1 (0.48) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL22289631 0.84 MDM2 (0.43) MDM2APPCXCL8DPP4DPP7
SCHEMBL31117279 0.81 PTGS1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15641246 0.81 LMNA (0.55) CXCL8PTGS1PTGS2
SCHEMBL19182931 0.81 PTGS1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL838637 0.81 LMNA (0.55) CXCL8PTGS1PTGS2
SCHEMBL19182930 0.81 PTGS1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29858584 0.81 LMNA (0.55) CXCL8PTGS1PTGS2
SCHEMBL30938844 0.81 NR3C2 (0.53) MDM2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA CAMBRIDGE LIMITED (GB) 2019-01-31 US disclosed
EP-3408256-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS Takeda Pharmaceutical Company Limited (JP) 2018-12-05 EP disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
WO-2017131221-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-03 WO disclosed
US-9540368-B2 1H-pyrrolo[2,3-c]pyridin-7(6H)-ones and pyrazolo[3,4-c]pyridin-7(6H)-ones as inhibitors of BET proteins INCYTE CORPORATION (US) 2017-01-10 US disclosed
US-20150307493-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORPORATION (US) 2015-10-29 US disclosed
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 US disclosed
US-8044046-B2 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2011-10-25 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 (3 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-20150307493-A1 1H-PYRROLO[2,3-c]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-c]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS BRD3, BRD1, BRD2 MDM2 868/4885APP 3468/4885PSEN1 939/4885
US-20190031599-A1 INDANE DERIVATIVES AS MGLUR7 MODULATORS GRM7, GRIN2B, GRM1 MDM2 4238/4885APP 2616/4885PSEN1 1092/4885
US-20120035169-A1 AEROSOL FORMULATION FOR THE INHALATION OF BETA-AGONISTS ADRB1, ADRB2, ADRB3 MDM2 2415/4885APP 538/4885PSEN1 1641/4885

“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.