SCHEMBL2228008

SCHEMBL2228008

O=C(O)N1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 15/20 0.70
GAA P10253 3/20 0.68
MAPT P10636 2/20 0.68
RECQL P46063 1/20 0.67
ADRB1 P08588 1/20 0.61
HTR6 P50406 1/20 0.61
DRD2 P14416 1/20 0.59
DRD4 P21917 1/20 0.59
DRD3 P35462 1/20 0.59

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
SCHEMBL27608171 0.85 GOT1 (0.63) GOT1GAAMAPTRECQLADRB1
SCHEMBL18690982 0.83 GAA (0.66) GOT1GAAMAPTRECQLADRB1
SCHEMBL28720422 0.83 GOT1 (1.00) GOT1GAAMAPTRECQL
SCHEMBL13933664 0.81 GAA (0.74) GOT1GAAMAPTRECQLADRB1
SCHEMBL1537795 0.81 GAA (0.60) GOT1GAAMAPTRECQLADRB1
SCHEMBL30885791 0.81 GAA (0.60) GOT1GAAMAPTRECQLADRB1
SCHEMBL13933666 0.80 GAA (0.78) GOT1GAAMAPTRECQLADRB1
SCHEMBL2354773 0.80 GOT1 (0.60) GOT1GAAMAPTRECQLDRD2
SCHEMBL1570271 0.80 ADRB1 (0.58) GOT1GAAMAPTRECQLADRB1
SCHEMBL7781598 0.79 ADRB1 (0.61) GOT1GAAMAPTRECQLADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4382521-A1 REGULATOR CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shujing Biopharma Co., Ltd (CN) 2024-06-12 EP disclosed
US-9844516-B2 Sigma ligands for use in the prevention and/or treatment of post-operative pain Laboratorios De Dr. Esteve (ES) 2017-12-19 US disclosed
US-9789115-B2 Use of sigma ligands in opioid-induced hyperalgesia LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-10-17 US disclosed
US-9782483-B2 Sigma ligands for the prevention and/or treatment of emesis induced by chemotherapy or radiotherapy LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2017-10-10 US disclosed
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-12-05 US disclosed
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-20 US disclosed
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-05-02 US disclosed
US-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-29 US disclosed
WO-2011088836-A1 NOVEL 4-(ARYL-4-SULFONYL)-6,6a,7,8,9,10-HEXAHYDRO-4H-4,8,10a-TRIAZA-ACEPHENANTHRYLENE AND 3-ARYLSULFONYL-6,6a,7,8,9,10-HEXAHYDRO-3H-3,8,10a-TRIAZA-CYCLOPENTA[C]FLUORENE DERIVATIVES AS SEROTONIN 5-HT6 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
WO-2011088838-A1 NOVEL 6,6A,7,8,9,10-HEXAHYDRO-4H-4,8,10A-TRIAZA-ACEPHENANTHRYLENE DERIVATIVES AS DOPAMINE D2 LIGANDS H. LUNDBECK A/S (DK) 2011-07-28 WO disclosed
CN-101730680-A Has 5-HT 64 ' the compound that replaces of receptor affinity MEMORY PHARM CORP 2010-06-09 CN disclosed
EP-2162433-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY Memory Pharmaceuticals Corporation (US) 2010-03-17 EP disclosed
CN-101456780-A Deprotection of n-boc compounds HOFFMANN LA ROCHE (CH) 2009-06-17 CN disclosed
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-25 US disclosed
WO-2008147812-A2 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2008-12-04 WO disclosed
CN-1871236-A Novel tetraydrospiro(piperdine-2,7'- pyrrolo{3,2-b}pyridine derivatives and novel in-dole derivatives useful in the treatment of 5-ht6 receptor-related disorders BIOVITRUM AB (SE) 2006-11-29 CN disclosed
CN-1222511-C I-aryl-or-I-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-b ligands WYETH CO (US) 2005-10-12 CN disclosed
CN-1484638-A I-aryl-or-I-alkylsulfonyl-heterocyclylbenzazoles as 5-hydroxytryptamine-b ligands 2004-03-24 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 (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-20120302568-A1 SIGMA LIGANDS FOR USE IN THE PREVENTION AND/OR TREATMENT OF POST-OPERATIVE PAIN OPRL1, OPRK1, SIGMAR1 GOT1 4362/4885GAA 4365/4885MAPT 3625/4885
US-20080318941-A1 4' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR1B, HTR3B GOT1 3940/4885GAA 3831/4885MAPT 4412/4885
US-20130158033-A1 USE OF SIGMA LIGANDS IN OPIOID-INDUCED HYPERALGESIA OPRL1, OPRK1, OPRM1 GOT1 3167/4885GAA 3260/4885MAPT 1420/4885
US-20130109692-A1 SIGMA LIGANDS FOR THE PREVENTION AND/OR TREATMENT OF EMESIS INDUCED BY CHEMOTHERAPY OR RADIOTHERAPY SIGMAR1, SFN, TMEM97 GOT1 1252/4885GAA 1690/4885MAPT 4002/4885
US-20130324535-A1 USE OF SIGMA LIGANDS IN BONE CANCER PAIN SIGMAR1, OPRL1, OPRK1 GOT1 3820/4885GAA 4190/4885MAPT 4337/4885

“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.