SCHEMBL95544

SCHEMBL95544

[CH2]CN(CC)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
CNR2 P34972 1/20 0.48
TAAR1 Q96RJ0 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
NOX1 Q9Y5S8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 2/20 0.43
MAPT P10636 1/20 0.43
PSMD14 O00487 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42

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
Diethylaniline SCHEMBL9000098 0.85 TSHR (0.70) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL17594 0.85 TSHR (0.70) TSHRCNR2TAAR1MEN1KMT2A
SCHEMBL9145309 0.85 TSHR (0.44) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL28201804 0.83 TSHR (0.61) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL9638069 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL30880867 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL1920410 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL2215318 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL31229134 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A
Diethylaniline SCHEMBL184484 0.82 TSHR (0.67) TSHRCNR2TAAR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN 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-7034129-B2 Process for surface functionalsation of polymeric substrates using diaryl carbenes as reactive intermediates ISIS INNOVATION LIMITED (GB) 2006-04-25 US claimed
EP-1124791-B1 SURFACE FUNCTIONALISATION ISIS INNOVATION (GB) 2005-01-12 EP claimed
US-20040127691-A1 Process for surface functionalsation of polymeric substrates using diaryl carbenes as reactive intermediates MOLONEY MARK GERARD (GB) 2004-07-01 US claimed
US-6699527-B1 FOR DYEING, OF SUBSTRATES SUCH AS COTTON, A VARIETY OF PLASTICS, POLYSTYRENE, NYLON, CONTROLLED PORE GLASS, SILICA, AN ETHYLENE POLYMER OR POLYTETRAFLUOROETHYLENE ISIS INNOVATION LIMITED (GB) 2004-03-02 US claimed
EP-1129083-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-05 EP claimed
EP-1124791-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2001-08-22 EP claimed
WO-2000029398-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES NIHON BAYER AGROCHEM K.K. (JP) 2000-05-25 WO claimed
WO-2000026180-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2000-05-11 WO claimed
JP-8151420-A None JP disclosed
EP-3835329-B1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION MITSUI CHEMICALS INC (JP) 2024-05-01 EP disclosed
CN-108375878-B Polymerizable composition, method for producing cured film, and cured film 东京应化工业株式会社 2023-12-08 CN disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 EP disclosed
EP-0106023-A2 End-capped polyarylene polyethers, articles made therefrom and process for preparing such polyarylene polyethers AMOCO CORPORATION (US) 1984-04-25 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 (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 TSHR 1642/4885CNR2 31/4885TAAR1 1127/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885CNR2 67/4885TAAR1 541/4885
US-20040127691-A1 Process for surface functionalsation of polymeric substrates using diaryl carbenes as reactive intermediates CYCS, CTTN, CYBB TSHR 3888/4885CNR2 164/4885TAAR1 860/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 TSHR 536/4885CNR2 67/4885TAAR1 541/4885

“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.