SCHEMBL4674647

SCHEMBL4674647

C[C@H](C(=O)O)[C@@H](N)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.54
LMNA P02545 3/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
SRC P12931 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL804146 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL16967371 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL3886489 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL5862033 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL804233 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7415779 1.00 DPP4 (0.54) DPP4LMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL5860905 0.98 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7710838 0.85 DPP4 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL4676515 0.85 ALOX5 (0.53) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL25178201 0.83 ESR1 (0.46) LMNAHIF1AKDM4ECYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042293-B9 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-09-03 EP disclosed
EP-1042293-B1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC (US) 2008-03-19 EP disclosed
EP-1448564-B1 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2006-04-19 EP disclosed
US-6921762-B2 Substituted indolizine-like compounds and methods of use AMGEN INC. (US) 2005-07-26 US disclosed
EP-1448564-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2004-08-25 EP disclosed
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
US-20030195221-A1 Substituted indolizine-like compounds and methods of use AMGEN INC. 2003-10-16 US disclosed
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
WO-2003044021-A2 SUBSTITUTED INDOLIZINE-LIKE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2003-05-30 WO disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030073704-A1 Substituted pyridone compounds and methods of use AMGEN INC. 2003-04-17 US disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6420385-B1 INFLAMMATORY, PAIN AND DIABETES DISEASES, AMGEN INC. 2002-07-16 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
EP-1042293-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE Amgen Inc. (US) 2000-10-11 EP disclosed
US-6096753-A Substituted pyrimidinone and pyridone compounds and methods of use AMGEN INC. (US) 2000-08-01 US disclosed
WO-1999032448-A1 SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 1999-07-01 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 (3 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B DPP4 301/4885LMNA 3990/4885ADRA2A 1889/4885
US-20030195221-A1 Substituted indolizine-like compounds and methods of use IL1A, IL1B, IL6 DPP4 214/4885LMNA 3641/4885ADRA2A 521/4885
US-20030073704-A1 Substituted pyridone compounds and methods of use IL6, IL1B, IL1A DPP4 361/4885LMNA 2575/4885ADRA2A 1457/4885

“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.