SCHEMBL6709264

SCHEMBL6709264

COC(=O)c1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.58
CYP1B1 Q16678 5/20 0.58
MAOB P27338 2/20 0.58
PTPN1 P18031 1/20 0.58
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.54
HDAC3 O15379 1/20 0.54
ADAM17 P78536 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
PTGS1 P23219 1/20 0.53
P4HB P07237 1/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL6709269 1.00 CYP1A1 (0.58) CYP1A1CYP1B1MAOBPTPN1ALDH1A1
SCHEMBL7842668 0.90 CYP1A1 (0.75) CYP1A1CYP1B1MAOBCYP1A2HDAC3
SCHEMBL385370 0.89 LMNA (0.60) ALDH1A1LMNANPC1MAPTCA1
Ammonia Solution, Strong SCHEMBL27316369 0.88 LMNA (0.59) ALDH1A1LMNANPC1MAPTCA1
SCHEMBL31301140 0.86 PTPN1 (0.73) MAOBPTPN1ALDH1A1LMNANPC1
SCHEMBL2627847 0.86 PTPN1 (0.73) MAOBPTPN1ALDH1A1LMNANPC1
SCHEMBL71401 0.86 PTPN1 (0.73) MAOBPTPN1ALDH1A1LMNANPC1
SCHEMBL71402 0.86 PTPN1 (0.73) MAOBPTPN1ALDH1A1LMNANPC1
SCHEMBL5379059 0.86 PTPN1 (0.73) MAOBPTPN1ALDH1A1LMNANPC1
SCHEMBL13063663 0.84 LMNA (0.56) PTPN1LMNAMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-08-21 US disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-14 US disclosed
US-9688636-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
US-9688636-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
US-9688636-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-27 US disclosed
EP-2875003-B1 NEW 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS UND THEIR USE Bayer Pharma AG (DE) 2016-11-16 EP disclosed
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-28 US disclosed
EP-2875003-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2015-05-27 EP disclosed
US-8981104-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-17 US disclosed
US-8981104-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-17 US disclosed
US-20140031391-A1 Novel 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-30 US disclosed
US-20140031391-A1 Novel 5-aminotetrahydroquinoline-2-carboxylic acids and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-30 US disclosed
WO-2014012934-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-01-23 WO disclosed
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 US disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 WO disclosed
EP-0407955-A1 New hetrazepines acting as PAF antagonists, process for their production and their use as drugs BOEHRINGER INGELHEIM KG (DE) 1991-01-16 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 (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-20140031391-A1 Novel 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 CYP1A1 649/4885CYP1B1 1376/4885MAOB 937/4885
US-10053428-B2 5-aminotetrahydroquinoline-2-carboxylic acids and their use TNNT2, TNNI3, FABP3 CYP1A1 534/4885CYP1B1 1240/4885MAOB 714/4885
US-20170260139-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 CYP1A1 649/4885CYP1B1 1376/4885MAOB 937/4885
US-20150148376-A1 NOVEL 5-AMINOTETRAHYDROQUINOLINE-2-CARBOXYLIC ACIDS AND THEIR USE TNNT2, TNNI3, FABP3 CYP1A1 649/4885CYP1B1 1376/4885MAOB 937/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 CYP1A1 739/4885CYP1B1 1017/4885MAOB 2608/4885

“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.