SCHEMBL2188803

SCHEMBL2188803

NC(OO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
AOC3 Q16853 1/20 0.41
SCN4A P35499 2/20 0.40
HTR2A P28223 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL358554 0.78 DPP4 (0.55) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL114840 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL27878685 0.74 DPP4 (0.43) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL10289765 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL13442807 0.73 CYP2D6 (0.44) DPP4F2LMNA
SCHEMBL1560612 0.73 CYP2D6 (0.44) DPP4F2LMNA
SCHEMBL297154 0.72 IDO1 (0.46) DPP4F2LMNA
Hydrochloric Acid SCHEMBL27904369 0.72 DPP4 (0.48) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1152103 0.72 SCN4A (0.48) DPP4F2ADRA2AADRA2CSCN4A
SCHEMBL11462046 0.72 CYP2D6 (0.43) DPP4F2LMNA

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-9550788-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2017-01-24 US disclosed
EP-2342178-B1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2016-09-28 EP disclosed
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI (FR) 2014-11-27 US disclosed
US-8822449-B2 Substituted aminoindanes and analogs thereof, and the pharmaceutical use thereof SANOFI (FR) 2014-09-02 US disclosed
US-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2011-08-18 US disclosed
EP-2342178-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF Sanofi-Aventis (FR) 2011-07-13 EP disclosed
WO-2010025856-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF SANOFI-AVENTIS (FR) 2010-03-11 WO disclosed
CN-100418507-C O/w emulsifier and o/w emulsions containing potassium cetyl phosphate and method for the production thereof SYMRISE GMBH & CO KG (DE) 2008-09-17 CN disclosed
CN-1753655-A O/w emulsifier and o/w emulsions containing potassium cetyl phosphate and method for the production thereof SYMRISE GMBH & CO KG (DE) 2006-03-29 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-20110201590-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, PKD1 DPP4 918/4885F2 280/4885ADRA2A 256/4885
US-20140349986-A1 SUBSTITUTED AMINOINDANES AND ANALOGS THEREOF, AND THE PHARMACEUTICAL USE THEREOF CFTR, AADAT, FANCI DPP4 1011/4885F2 274/4885ADRA2A 280/4885

“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.