SCHEMBL5692179

SCHEMBL5692179

Cc1ccc(N2CCC(N)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.48
DPP4 P27487 3/20 0.46
NAMPT P43490 1/20 0.46
ADRB1 P08588 1/20 0.46
HRH4 Q9H3N8 5/20 0.43
AKT1 P31749 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CLK2 P49760 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2D Q13557 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM3 Q86V86 1/20 0.40
AURKB Q96GD4 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40
MAP4K5 Q9Y4K4 1/20 0.40

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
SCHEMBL23422579 1.00 KHK (0.48) KHKDPP4NAMPTADRB1HRH4
SCHEMBL23422596 1.00 KHK (0.48) KHKDPP4NAMPTADRB1HRH4
SCHEMBL8724123 0.88 ADRB1 (0.53) DPP4ADRB1GPR119MAPTNPSR1
Hydrochloric Acid SCHEMBL5180146 0.86 ADRB1 (0.52) DPP4ADRB1GPR119MAPTNPSR1
SCHEMBL25016623 0.82 ADRB1 (0.47) DPP4ADRB1GPR119MAPTNPSR1
SCHEMBL25016051 0.82 ADRB1 (0.47) DPP4ADRB1GPR119MAPTNPSR1
SCHEMBL5392075 0.82 MAPT (0.48) KHKNAMPTHRH4CCNCCDK8
SCHEMBL25017026 0.82 ADRB1 (0.47) DPP4ADRB1GPR119MAPTNPSR1
SCHEMBL21460260 0.81 NAMPT (0.46) KHKNAMPTHRH4CCNCCDK8
Hydrochloric Acid SCHEMBL5383104 0.81 MAPT (0.52) KHKNAMPTHRH4CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523292-B1 HETEROARYL COMPOUNDS AND THEIR USE AS MER INHIBITORS DONG A SOCIO HOLDINGS CO LTD (KR) 2021-12-15 EP disclosed
EP-2712863-B1 Novel inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES INC (US) 2014-10-22 EP disclosed
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS SEQUOIA SCIENCES, INC. (US) 2013-10-17 US disclosed
US-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS SEQUOIA SCIENCES, INC. (US) 2013-10-17 US disclosed
US-8324264-B1 Inhibitors of bacterial biofilms and related methods SEQUOIA SCIENCES, INC. (US) 2012-12-04 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
US-7332509-B2 Heterocyclic amides, a process for their preparation, compositions comprising them and their use MERIAL LIMITED (US) 2008-02-19 US disclosed
EP-1434485-B1 NICOTINIC ACID-HETEROCYCLYL-AMIDES AND ANALOGOUS PYRIMIDINE DERIVATIVES FOR USE AS PESTICIDES MERIAL LTD (US) 2007-05-16 EP disclosed
US-20060270847-A1 Process for producing nitrogenous heterocyclic compound TORAY FINE CHEMICALS CO., LTD. (JP) 2006-11-30 US disclosed
EP-1640364-A1 PROCESS FOR PRODUCING NITROGENOUS HETEROCYCLIC COMPOUND Toray Fine Chemicals Co., Ltd. (JP) 2006-03-29 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 (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-20130274256-A1 NOVEL INHIBITORS OF BACTERIAL BIOFILMS AND RELATED METHODS BLVRB, MMP8, PGLS KHK 2252/4885DPP4 2761/4885NAMPT 491/4885
US-20060270847-A1 Process for producing nitrogenous heterocyclic compound HNMT, HRH4, QDPR KHK 1539/4885DPP4 1210/4885NAMPT 91/4885

“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.