SCHEMBL3475103

SCHEMBL3475103

N#Cc1ccc(NC2CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
CTSS P25774 1/20 0.57
EPHX1 P07099 1/20 0.57
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
CCR6 P51684 1/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DPP4 P27487 1/20 0.43
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CDK12 Q9NYV4 1/20 0.43

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
SCHEMBL3477124 0.98 CTSK (0.60) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL15739641 0.96 CTSK (0.54) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL12733191 0.92 CCR6 (0.49) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL377685 0.85 CTSS (0.48) CTSKCTSSEPHX1TRPA1CCR6
Hydrochloric Acid SCHEMBL23302911 0.83 CTSS (0.47) CTSKCTSSEPHX1TRPA1CCR6
Hydrochloric Acid SCHEMBL383062 0.83 CTSS (0.47) CTSKCTSSEPHX1TRPA1CCR6
SCHEMBL13450562 0.83 CCR6 (0.47) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL16480090 0.83 CCR6 (0.47) CTSKCTSSEPHX1NPC1RAB9A
SCHEMBL3816119 0.83 IRAK4 (0.51) CTSKCTSSEPHX1TRPA1CCR6
SCHEMBL7790085 0.83 TRPA1 (0.47) CTSKCTSSEPHX1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US claimed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 WO claimed
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-09 US disclosed
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-11-04 US disclosed
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-07-11 US disclosed
EP-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed
US-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2011-12-22 US disclosed
WO-2010097815-A2 A TWO COMPONENT RECYCLABLE HETEROGENEOUS CATALYST, PROCESS FOR PREPARATION THEREOF AND ITS USE FOR PREPARATION OF AMINES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2010-09-02 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-20110313158-A1 Two Component Recyclable Heterogeneous Catalyst, Process for Preparation Thereof and its Use for Preparation of Amines HCN2, RAC2, HCN1 CTSK 2119/4885CTSS 1237/4885EPHX1 636/4885
US-20190210984-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 CTSK 3317/4885CTSS 2228/4885EPHX1 2241/4885
US-11168062-B2 Compounds for the treatment of Clostridium difficile infection VNN1, NGLY1, NUCB2 CTSK 3317/4885CTSS 2228/4885EPHX1 2241/4885
US-20210340117-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 CTSK 3317/4885CTSS 2228/4885EPHX1 2241/4885
US-20210340116-A1 COMPOUNDS FOR THE TREATMENT OF CLOSTRIDIUM DIFFICILE INFECTION VNN1, NGLY1, NUCB2 CTSK 3317/4885CTSS 2228/4885EPHX1 2241/4885

“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.