SCHEMBL2496592

SCHEMBL2496592

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

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.52
SLC7A5 Q01650 1/20 0.50
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
LAP3 P28838 1/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
ARG1 P05089 2/20 0.30
ARG2 P78540 2/20 0.30
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL14889871 1.00 DPP4 (0.52) DPP4SLC7A5FAPDPP8DPP9
SCHEMBL1953318 1.00 DPP4 (0.52) DPP4SLC7A5FAPDPP8DPP9
Hydrochloric Acid SCHEMBL14779945 0.97 DPP4 (0.50) DPP4SLC7A5FAPDPP8DPP9
Hydrochloric Acid SCHEMBL1953291 0.97 DPP4 (0.50) DPP4SLC7A5FAPDPP8DPP9
Hydrochloric Acid SCHEMBL3220896 0.97 DPP4 (0.50) DPP4SLC7A5FAPDPP8DPP9
SCHEMBL13374234 0.81 DPP4 (0.36) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL4139897 0.81 DPP4 (0.36) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL4155785 0.81 DPP4 (0.36) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL3983698 0.81 DPP4 (0.36) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL4157374 0.81 DPP4 (0.36) DPP4SLC7A5DPP7ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0678503-B1 Delta-amino-gamma-hydroxy-omega-aryl alkanoic acid amides with enzyme especially renin inhibiting activities NOVARTIS AG (CH) 1999-09-01 EP claimed
EP-0521666-B1 Ampholyte terpolymers providing superior conditioning properties in shampoos and other hair care products CALGON CORP (US) 1997-12-10 EP claimed
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-11-09 US disclosed
WO-2023081230-A1 NOVEL AURISTATIN ANALOGS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
US-20220031858-A1 NOVEL LINKERS BICYCLETX LIMITED (GB) 2022-02-03 US disclosed
US-10968183-B2 Small molecule FIEL1 inhibitor in inflammatory and fibrotic lung injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-04-06 US disclosed
EP-3638669-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
US-10344003-B2 Small molecule FIEL1 inhibitor in inflammatory and fibrotic lung injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-07-09 US disclosed
EP-2898085-B1 CELL LINES MEDIMMUNE LTD (GB) 2019-01-23 EP disclosed
WO-2018228920-A1 SUBSTITUTED PYRROLOPYRIDINE-DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO disclosed
US-20180141916-A1 NOVEL SMALL MOLECULE FIEL1 INHIBITOR IN INFLAMMATORY AND FIBROTIC LUNG INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-24 US disclosed
US-6211235-B1 ALZHEIMERS DISEASE ELAN PHARMACEUTICALS, INC. 2001-04-03 US disclosed
US-6207710-B1 FOR THERAPY OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-03-27 US disclosed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US disclosed
US-6096782-A N-(aryl/heteroaryl) amino acid derivatives pharmaceutical compositions comprising same and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2000-08-01 US disclosed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
EP-0942923-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP disclosed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO disclosed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed
WO-1998022493-A2 N-(ARYL/HETEROARYL) AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 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 (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-10344003-B2 Small molecule FIEL1 inhibitor in inflammatory and fibrotic lung injury FIP1L1, TRIM28, TFPI2 DPP4 2423/4885SLC7A5 3042/4885FAP 307/4885
US-20230357259-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF DOCK11, PAICS, RHOA DPP4 2261/4885SLC7A5 2289/4885FAP 947/4885
US-20180141916-A1 NOVEL SMALL MOLECULE FIEL1 INHIBITOR IN INFLAMMATORY AND FIBROTIC LUNG INJURY FIP1L1, TRIM28, TFPI2 DPP4 2632/4885SLC7A5 3282/4885FAP 488/4885
US-20220031858-A1 NOVEL LINKERS CD44, FOLH1, HACD3 DPP4 1609/4885SLC7A5 19/4885FAP 1297/4885
US-10968183-B2 Small molecule FIEL1 inhibitor in inflammatory and fibrotic lung injury FIP1L1, TRIM28, TFPI2 DPP4 2423/4885SLC7A5 3042/4885FAP 307/4885

“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.