SCHEMBL6053003

SCHEMBL6053003

N[C@@H](Cc1ccccc1)C(=O)N1CCC(=NO)C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.67
DPP4 P27487 4/20 0.48
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
AKT1 P31749 3/20 0.46
PLAU P00749 1/20 0.46
PLAUR Q03405 1/20 0.46
OPRD1 P41143 1/20 0.46
AKT2 P31751 1/20 0.46
AKT3 Q9Y243 1/20 0.46
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45
FAP Q12884 1/20 0.45
POLB P06746 1/20 0.45
NLN Q9BYT8 1/20 0.44

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
SCHEMBL6053022 0.92 HDAC8 (0.62) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL23270619 0.92 HDAC8 (0.62) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL6052764 0.89 HDAC8 (0.71) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL6163689 0.82 HDAC8 (0.71) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL1358775 0.81 HDAC8 (0.97) HDAC8DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6166277 0.81 HDAC8 (0.74) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL1358772 0.81 HDAC8 (0.97) HDAC8DPP4DPP8DPP9DPP7
Hydrochloric Acid SCHEMBL6166271 0.81 HDAC8 (0.74) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL6163400 0.79 HDAC8 (0.67) HDAC8DPP4ALPIPKMPTGS1
SCHEMBL6163353 0.79 HDAC8 (0.67) HDAC8DPP4ALPIPKMPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171049-A1 Compounds for the treatment of ischemia DENINNO MICHAEL P (US) 2005-08-04 US claimed
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP claimed
EP-1032424-B9 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2004-10-06 EP claimed
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP claimed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US claimed
US-6555569-B2 Especially for treatment of Chlamydia pneumoniae PFIZER INC. 2003-04-29 US claimed
US-20030055021-A1 Compounds for the treatment of ischemia PFIZER, INC. 2003-03-20 US claimed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US claimed
US-20020123513-A1 Use of glycogen phosphorylase inhibitors to inhibit tumor growth PFIZER PRODUCTS INC. 2002-09-05 US claimed
US-20010046985-A1 Use of heteroaryl substituted N-(indole-2-carbonyl-) amides for treatment of infection SUTCLIFFE JOYCE A (US) 2001-11-29 US claimed
EP-1149580-A1 Use of heteroaryl substituted N-(Indole-2-Carbonyl-) amides for the manufacture of a medicament for the treatment of infection Pfizer Products Inc. (US) 2001-10-31 EP claimed
EP-0832065-B1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER (US) 2001-10-10 EP claimed
EP-1032424-B1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PROD INC (US) 2001-09-12 EP claimed
EP-1061074-A1 Novel process and intermediates Pfizer Products Inc. (US) 2000-12-20 EP claimed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP claimed
EP-1032424-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR Pfizer Products Inc. (US) 2000-09-06 EP claimed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 WO claimed
WO-1999026659-A1 COMBINATION OF AN ALDOSE REDUCTASE INHIBITOR AND A GLYCOGEN PHOSPHORYLASE INHIBITOR PFIZER PRODUCTS INC. (US) 1999-06-03 WO claimed
EP-0832065-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER INC. (US) 1998-04-01 EP claimed
WO-1996039384-A1 SUBSTITUTED N-(INDOLE-2-CARBONYL)-GLYCINAMIDES AND DERIVATIVES AS GLYCOGEN PHOSPHORYLASE INHIBITORS PFIZER, INC. (US) 1996-12-12 WO claimed

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-20050171049-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, TBXA2R HDAC8 3248/4885DPP4 1474/4885ALPI 1486/4885
US-20010046985-A1 Use of heteroaryl substituted N-(indole-2-carbonyl-) amides for treatment of infection PYGL, PYGM, PYGB HDAC8 737/4885DPP4 606/4885ALPI 12/4885
US-20030055021-A1 Compounds for the treatment of ischemia TNNI3, ADRB3, FABP3 HDAC8 2328/4885DPP4 1600/4885ALPI 1158/4885
US-20020123513-A1 Use of glycogen phosphorylase inhibitors to inhibit tumor growth PYGL, PYGM, G6PC1 HDAC8 2248/4885DPP4 937/4885ALPI 35/4885
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 HDAC8 318/4885DPP4 1574/4885ALPI 1577/4885

“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.