SCHEMBL95074

SCHEMBL95074

CCC(C)N(C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
GRIN1 Q05586 4/20 0.40
GRIN2A Q12879 4/20 0.40
GRIN2D O15399 3/20 0.40
GRIN2C Q14957 3/20 0.40
GRIN2B Q13224 2/20 0.40
HTR2A P28223 2/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
NPY5R Q15761 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL39602 0.88 ALDH1A1 (0.36) TSHRALDH1A1GRIN1GRIN2AGRIN2D
Aniline SCHEMBL4439642 0.86 ALDH1A1 (0.45) TSHRALDH1A1SLC6A2SLC6A4GRIN1
Diphenylamine SCHEMBL4439637 0.85 MEN1 (0.46) TSHRALDH1A1SLC6A2NPY5RMEN1
SCHEMBL6887995 0.84 ALDH1A1 (0.35) TSHRALDH1A1GLASLC6A2SLC6A4
SCHEMBL11728189 0.83 MEN1 (0.49) TSHRALDH1A1SLC6A2NPY5RMEN1
SCHEMBL27152602 0.83 SLC6A2 (0.40) TSHRALDH1A1GLASLC6A2SLC6A4
SCHEMBL2545305 0.80 TSHR (0.41) TSHRALDH1A1GLASLC6A2SLC6A4
SCHEMBL10349465 0.80 SLC6A2 (0.53) SLC6A2SLC6A4HTR2AADRA2BADRA2C
SCHEMBL2258445 0.79 SIGMAR1 (0.39) SLC6A2SLC6A4HTR2AADRA2BADRA2C
SCHEMBL24865127 0.79 ALDH1A1 (0.43) TSHRALDH1A1GLAGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10294250-B2 Organoaminosilanes and methods for making same VERSUM MATERIALS US, LLC (US) 2019-05-21 US disclosed
EP-2940021-B1 CYANINE DYE COMPOUND AND PREPARATION METHOD THEREFOR, AND DUAL-FUNCTION AGENT FOR PHOTODYNAMIC THERAPY AND PREPARATION METHOD THEREFOR ZHEJIANG HISUN PHARM CO LTD (CN) 2018-06-13 EP disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
US-9758534-B2 Organoaminosilanes and methods for making same VERSUM MATERIALS US, LLC (US) 2017-09-12 US disclosed
US-20170204120-A1 Organoaminosilanes and Methods for Making Same VERSUM MATERIALS US, LLC (US) 2017-07-20 US disclosed
US-20160137777-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2016-05-19 US disclosed
US-20130172524-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS NOVOMER, INC. (US) 2013-07-04 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-7390924-B2 Terphenyl derivatives, preparation thereof, compositions containing same SANOFI-AVENTIS (FR) 2008-06-24 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
US-6815183-B1 Plasmodium sp. chitinase THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2004-11-09 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 (5 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-20170204120-A1 Organoaminosilanes and Methods for Making Same DDAH1, IDUA, DDT TSHR 3989/4885ALDH1A1 418/4885GLA 1279/4885
US-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TSHR 3439/4885ALDH1A1 2948/4885GLA 4247/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TSHR 110/4885ALDH1A1 2458/4885GLA 4101/4885
US-10294250-B2 Organoaminosilanes and methods for making same DDAH1, IDUA, DDT TSHR 3989/4885ALDH1A1 418/4885GLA 1279/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TSHR 110/4885ALDH1A1 2458/4885GLA 4101/4885

“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.