SCHEMBL465778

SCHEMBL465778

Brc1cccc(CN2CCOCC2)n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.77
FAAH O00519 1/20 0.51
CYP2A13 Q16696 6/20 0.50
ALOX15 P16050 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NCF1 P14598 1/20 0.44
HTT P42858 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL31372331 1.00 CXCR4 (0.77) CXCR4FAAHCYP2A13ALOX15SMN1; SMN2
SCHEMBL29604383 0.88 CXCR4 (1.00) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1
Bromide SCHEMBL29604076 0.86 CXCR4 (0.96) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL29604752 0.86 CXCR4 (0.96) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1
SCHEMBL946921 0.83 CXCR4 (0.83) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1
SCHEMBL839038 0.83 FAAH (0.53) CXCR4FAAHSMN1; SMN2ALDH1A1KDM4E
SCHEMBL5255062 0.80 FAAH (0.54) CXCR4FAAHALDH1A1MEN1KMT2A
SCHEMBL5253618 0.80 FAAH (0.54) CXCR4FAAHKDM4ENCF1
SCHEMBL22304486 0.80 CXCR4 (0.83) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1
SCHEMBL13273129 0.80 CXCR4 (0.77) CXCR4CYP2A13ALOX15SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-02-09 US disclosed
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2023-02-09 US disclosed
US-11478478-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-10-25 US disclosed
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
EP-3511323-B1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-03-02 EP disclosed
US-20210046073-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-18 US disclosed
US-20210046073-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-18 US disclosed
US-10583139-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-03-10 US disclosed
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed
EP-3511323-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2019-07-17 EP disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN disclosed
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US disclosed
US-20020173507-A1 Urea compounds and methods of uses AMGEN INC. 2002-11-21 US disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO 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 (8 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-10583139-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors BRD4, BRD3, BRD2 CXCR4 1862/4885FAAH 88/4885CYP2A13 4689/4885
US-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885FAAH 3791/4885CYP2A13 1622/4885
US-20020173507-A1 Urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2255/4885FAAH 2650/4885CYP2A13 1805/4885
US-20210046073-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CXCR4 1862/4885FAAH 88/4885CYP2A13 4689/4885
US-20230040299-A1 2,3-DISUBSTITUTED 1-ACYL-4-AMINO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 CXCR4 1862/4885FAAH 88/4885CYP2A13 4689/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885FAAH 3791/4885CYP2A13 1622/4885
US-11478478-B2 2,3-disubstituted 1-acyl-4-amino-1,2,3,4-tetrahydroquinoline derivatives and their use as bromodomain inhibitors BRD4, BRD3, BRD2 CXCR4 1862/4885FAAH 88/4885CYP2A13 4689/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX CXCR4 2256/4885FAAH 3791/4885CYP2A13 1622/4885

“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.