SCHEMBL696310

SCHEMBL696310

[CH2]Cc1ccc(N(C)C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
TSHR P16473 4/20 0.64
MAPK1 P28482 3/20 0.64
CYP3A4 P08684 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALOX15 P16050 2/20 0.58
HSD17B10 Q99714 2/20 0.58
TP53 P04637 2/20 0.46
CALM1 P0DP23 1/20 0.44
APP P05067 1/20 0.42
CHKA P35790 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC2A1 P11166 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2A13 Q16696 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
SCHEMBL5539466 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL4405018 0.78 ALDH1A1 (0.70) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL12679051 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL76217 0.78 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7494593 0.77 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL1803971 0.76 ESR1 (0.32) ALDH1A1TSHRCYP3A4TDP1
SCHEMBL65261 0.76 ALDH1A1 (1.00) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL44501 0.76 ALDH1A1 (0.67) ALDH1A1TSHRMAPK1CYP3A4TDP1
Hydrochloric Acid SCHEMBL1450346 0.76 ALDH1A1 (0.94) ALDH1A1TSHRMAPK1CYP3A4TDP1
SCHEMBL7589217 0.75 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450303-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-28 US claimed
CN-102459240-A Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2012-05-16 CN claimed
EP-2421856-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
WO-2010124112-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-6464902-B1 CONDENSATION OF AT LEAST TWO PERYLENE MONOIMIDE-MONOANHYDRIDES WITH 1,3-PROPANEDIAMINE FORM THE IMIDES; PHOTOCONDUCTIVE IMAGING MEMBERS WITH THE MIXED PERYLENE DIMER PIGMENTS; ENVIRONMENTALLY ACCEPTABLE MIXTURES XEROX CORPORATION 2002-10-15 US claimed
EP-0861878-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2001-10-24 EP claimed
US-6287738-B1 CONTAINING PERYLENEBISIMIDE XEROX CORPORATION 2001-09-11 US claimed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP claimed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 WO claimed
EP-0861878-A1 Unsymmetrical perylene dimers XEROX CORPORATION (US) 1998-09-02 EP claimed
EP-0826740-A1 Symmetrical perylene dimers XEROX CORPORATION (US) 1998-03-04 EP claimed
US-5683842-A CHARGE GENERATORS FOR IMAGES XEROX CORPORATION (US) 1997-11-04 US claimed
US-5645965-A XEROGRAPHY, CHARGE GENERATING COMPOUNDS XEROX CORPORATION (US) 1997-07-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R ALDH1A1 1731/4885TSHR 1642/4885MAPK1 791/4885
US-20100331299-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885TSHR 2931/4885MAPK1 4496/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885MAPK1 1651/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885MAPK1 1651/4885

“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.