SCHEMBL377906

SCHEMBL377906

O=C(O)N1CCC(NCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.64
ACHE P22303 9/20 0.62
BACE1 P56817 9/20 0.62
BCHE P06276 7/20 0.62
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CARM1 Q86X55 1/20 0.55
PRMT6 Q96LA8 1/20 0.55
FABP6 P51161 1/20 0.55
GRIN2B Q13224 1/20 0.54
CXCR4 P61073 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.50
TEAD1 P28347 1/20 0.50
EBP Q15125 1/20 0.50
DHCR7 Q9UBM7 1/20 0.50

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
SCHEMBL4080791 0.94 FABP6 (0.60) DRD4ACHEBACE1BCHEMEN1
SCHEMBL16269315 0.91 ACHE (0.60) DRD4ACHEBACE1BCHEMEN1
SCHEMBL1189971 0.91 ACHE (0.60) DRD4ACHEBACE1BCHEMEN1
SCHEMBL29238649 0.88 DRD4 (0.61) DRD4ACHEBACE1BCHEMEN1
SCHEMBL3712791 0.86 ACHE (0.60) DRD4ACHEBACE1BCHEMEN1
SCHEMBL16795397 0.86 DRD4 (0.53) DRD4ACHEBACE1BCHECARM1
SCHEMBL18640371 0.85 EPHX2 (0.60) DRD4ACHEBACE1BCHEMEN1
SCHEMBL6418433 0.85 DRD4 (0.56) DRD4ACHEBACE1BCHEMEN1
SCHEMBL12803076 0.84 CARM1 (0.59) DRD4ACHEBACE1BCHEKMT2A
SCHEMBL18640333 0.84 TEAD1 (0.71) DRD4ACHEBACE1BCHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 EP disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
US-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-09-13 US disclosed
CN-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 CN disclosed
WO-2013175281-A1 USE OF SUBSTITUTED 2-PHENYL-3H-QUINAZOLIN-4-ONES AND ANALOGS FOR INHIBITING BROMODOMAIN AND EXTRA TERMINAL DOMAIN (BET) PROTEINS RVX THERAPEUTICS INC. (CA) 2013-11-28 WO disclosed
CN-102427813-A Novel anti-inflammatory agents RESVERLOGIX CORP 2012-04-25 CN disclosed
EP-2408454-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-01-25 EP disclosed
WO-2010106436-A2 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2010-09-23 WO disclosed
EP-2102171-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-09-23 EP disclosed
EP-1960359-A1 NOVEL N-SULFAMOYL-PIPERIDINEAMIDES FOR THE PROPHYLAXIS OR TREATMENT OF OBESITY AND RELATED CONDITIONS Solvay Pharmaceuticals GmbH (DE) 2008-08-27 EP disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO disclosed
EP-1844037-A1 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2007-10-17 EP disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
WO-2007065948-A1 NOVEL N-SULFAMOYL-PIPERIDINEAMIDES FOR THE PROPHYLAXIS OR TREATMENT OF OBESITY AND RELATED CONDITIONS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-14 WO disclosed
CN-1293065-C Piperazinyl- or piperidinylamine-sulfamic acid amides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2007-01-03 CN disclosed
WO-2006077499-A1 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2006-07-27 WO disclosed
CN-1646509-A Piperazinyl-or piperidinylamine-sulfamic acid amides as steroid sulfatase inhibitors NOVARTIS AG (CH) 2005-07-27 CN disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN 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-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885ACHE 3169/4885BACE1 2234/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885ACHE 3169/4885BACE1 2234/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 DRD4 2929/4885ACHE 3169/4885BACE1 2234/4885

“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.