SCHEMBL242044

SCHEMBL242044

COC(OC)C(N)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.59
F2 P00734 1/20 0.46
THRB P10828 1/20 0.46
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
LMNA P02545 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
SCN4A P35499 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
SCHEMBL14344017 1.00 DPP4 (0.59) DPP4F2THRBADRA2AADRA2C
SCHEMBL14344178 1.00 DPP4 (0.59) DPP4F2THRBADRA2AADRA2C
Hydrochloric Acid SCHEMBL7961646 0.98 DPP4 (0.56) DPP4F2THRBADRA2AADRA2C
SCHEMBL22225738 0.79 DPP4 (0.56) DPP4F2THRBADRA2AADRA2C
SCHEMBL851654 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1878642 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL239938 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL2067094 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL644767 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL150159 0.76 DPP4 (1.00) DPP4F2ADRA2AADRA2CLMNA

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
CN-114100588-A Nitrogen-containing functional group ultrahigh cross-linking adsorbent, preparation method thereof and blood perfusion apparatus 泉州师范学院 2022-03-01 CN disclosed
CN-110903433-B Preparation method of sulfonamide based on aminopropyl-3-methylimidazole and synergist molecularly imprinted polymer thereof 中国农业科学院农业质量标准与检测技术研究所 2021-07-13 CN disclosed
CN-110903433-A Preparation method of sulfonamide based on aminopropyl-3-methylimidazole and synergist molecularly imprinted polymer thereof 中国农业科学院农业质量标准与检测技术研究所 2020-03-24 CN disclosed
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
CN-103209963-A 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES INC 2013-07-17 CN disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2010031544-A1 PROCESS FOR PREPARING ALPHA AMINOACETALS IN RECEMIC FORM CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-03-25 WO disclosed
WO-2010031544-A1 PROCESS FOR PREPARING ALPHA AMINOACETALS IN RECEMIC FORM CLARIANT SPECIALTY FINE CHEMICALS (FRANCE) (FR) 2010-03-25 WO disclosed
EP-1527041-B1 PROCESS FOR THE PREPARATION OF PRIMARY AMINES CLARIANT FRANCE SA (FR) 2010-03-10 EP disclosed
US-7220883-B2 Process for the preparation of primary amines CLARIANT (FRANCE) (FR) 2007-05-22 US disclosed
US-20050240059-A1 Process for the preparation of primary amines CLARIANT (FRANCE) (FR) 2005-10-27 US disclosed
EP-1001956-B1 2,3-BENZODIAZEPINE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2003-05-07 EP disclosed
US-6482819-B1 2,3-benzodiazepine derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2002-11-19 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 (2 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-20050240059-A1 Process for the preparation of primary amines HRH3, H1-3, H1-0 DPP4 4876/4885F2 1447/4885THRB 2623/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 DPP4 2009/4885F2 3762/4885THRB 4499/4885

“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.