SCHEMBL2345954

SCHEMBL2345954

O=C(c1cc2ccccc2[nH]1)N1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 7/20 0.76
HRH3 Q9Y5N1 2/20 0.76
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
AKR1C3 P42330 7/20 0.64
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA7 P43166 1/20 0.61
CA9 Q16790 1/20 0.61
MEN1 O00255 1/20 0.60
HCRTR1 O43613 1/20 0.60
KMT2A Q03164 1/20 0.60
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL29944207 1.00 HRH4 (0.76) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL2350768 0.98 HRH4 (0.78) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL602187 0.88 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2DRD2
SCHEMBL22615143 0.87 HRH4 (0.89) HRH4HRH3POLBSMN1; SMN2AKR1C3
Benzoxazolinone SCHEMBL3094881 0.86 POLB (0.60) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL28469741 0.86 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL29699763 0.86 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
SCHEMBL2679610 0.86 HRH4 (1.00) HRH4HRH3POLBSMN1; SMN2AKR1C3
Potassium Ion SCHEMBL22615122 0.85 HRH4 (0.71) HRH4HRH3POLBSMN1; SMN2NPC1
SCHEMBL22615176 0.85 HRH4 (0.74) HRH4HRH3POLBSMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 US disclosed
US-20150176010-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS SENSORION (FR) 2015-06-25 US disclosed
CN-101248072-B 2-indolyl imidazo[4,5-d]phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC 2013-01-23 CN disclosed
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-8148392-B2 2-indolyl imidazo [4,5-d] phenanthroline derivatives and their use in the treatment of cancer LORUS THERAPEUTICS INC. (CA) 2012-04-03 US disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
US-8076360-B2 e.g. {5-Chloro-2-[4-(2-oxo-2,3-dihydro-benzooxazol-7-yl)-piperidine-1-carbonyl]-1H-indol-7-yl}-acetonitrile; vasopressin receptors antagonist; antidepressant, anxiolytic; dysmenorrhea, hypertension, inappropriate secretion of vasopressin, liver cirrhosis, nephrotic syndrome, obsessive compulsive disorder HOFFMAN-LA ROCHE INC. (US) 2011-12-13 US disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
EP-2102186-B1 INDOLES HOFFMANN LA ROCHE (CH) 2011-10-05 EP disclosed
WO-2006023590-A1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE Iϵ AVENTIS PHARMACEUTICALS INC. (US) 2006-03-02 WO disclosed
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-07-21 US disclosed
US-6919355-B2 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2005-07-19 US disclosed
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113361-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists HORVATH CSILLA (HU) 2005-05-26 US disclosed
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists RICHTER GEDEON VEGYESZETI GYAR RT. 2003-10-23 US disclosed
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO disclosed
WO-2000037074-A1 MUTILIN 14-ESTER DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2000-06-29 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-20050113361-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B HRH4 20/4885HRH3 21/4885POLB 3229/4885
US-20050113360-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B HRH4 21/4885HRH3 13/4885POLB 2797/4885
US-20050159451-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B HRH4 19/4885HRH3 16/4885POLB 3020/4885
US-20050113359-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2B HRH4 19/4885HRH3 20/4885POLB 3190/4885
US-20030199552-A1 Amide derivatives as NMDA receptor antagonists GRIN1, GRIN3A, GRIN2C HRH4 34/4885HRH3 48/4885POLB 3041/4885

“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.