SCHEMBL7583274

SCHEMBL7583274

O=CN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.63
SIGMAR1 Q99720 3/20 0.61
HTR1A P08908 1/20 0.61
DRD2 P14416 1/20 0.61
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KCNH2 Q12809 1/20 0.57
ACHE P22303 1/20 0.54
CCR3 P51677 1/20 0.53
MAPT P10636 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL2401885 0.89 SIGMAR1 (0.76) SIGMAR1CCR3
SCHEMBL10388555 0.88 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR3
SCHEMBL10387884 0.86 SIGMAR1 (0.68) SIGMAR1MEN1KMT2ACCR3
SCHEMBL13150782 0.86 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2MEN1
SCHEMBL6056974 0.86 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2MEN1
SCHEMBL14407778 0.86 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2MEN1
SCHEMBL7264546 0.86 SLC6A3 (0.83) SLC6A3SIGMAR1HTR1ADRD2MEN1
SCHEMBL5407959 0.84 KCNH2 (0.59) SLC6A3KCNH2
SCHEMBL3035813 0.84 SLC6A3 (0.61) SLC6A3SIGMAR1HTR1ADRD2MEN1
SCHEMBL31709325 0.84 SLC6A3 (0.61) SLC6A3SIGMAR1HTR1ADRD2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN claimed
CN-111511730-A Amide substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-07 CN claimed
CN-102143953-A Pyrimidines, triazines and their use as pharmaceutical agents UNIV NOTTINGHAM 2011-08-03 CN claimed
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
CN-111511730-A Amide substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-07 CN disclosed
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 US disclosed
WO-2016008010-A1 FUNCTIONALISED AND SUBSTITUTED CARBAZOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2016-01-21 WO disclosed
CN-103524442-A Pyrimidine compound, triazine compound and application thereof as medicine LE SUN PHARMACEUTICALS LTD 2014-01-22 CN disclosed
CN-102143953-B Pyrimidines, triazines and their use as pharmaceutical agents LE SUN PHARMACEUTICALS LTD 2013-12-25 CN disclosed
CN-1926121-B Thiazole derivatives and uses thereof MERCK SERONO SA 2012-06-13 CN disclosed
CN-102143953-A Pyrimidines, triazines and their use as pharmaceutical agents UNIV NOTTINGHAM 2011-08-03 CN disclosed
US-20090275555-A1 Substituted indole ligands for the ORL-1 receptor BRANE DISCOVERY S.R.L. (IT) 2009-11-05 US disclosed
CN-1319532-C Use of N- (indolylcarbonyl) piperazine derivatives MERCK PATENT GMBH (DE) 2007-06-06 CN disclosed
CN-1926121-A Thiazole derivatives and uses thereof APPLIED RESEARCH SYSTEMS (AN) 2007-03-07 CN disclosed
CN-1589147-A Use of N-(indolecarbonyl-)piperazine derivatives MERCK PATENT GMBH (DE) 2005-03-02 CN disclosed
EP-1228041-A2 INDOLE DERIVATIVES AND THEIR USE AS 5HT2A LIGANDS MERCK PATENT GmbH (DE) 2002-08-07 EP disclosed
WO-2001007434-A2 INDOLE DERIVATIVES AND THEIR USE AS 5HT2A LIGANDS MERCK PATENT GMBH (DE) 2001-02-01 WO disclosed
CN-1022632-C Carboxamide compounds, process for preparing same and pharmaceutical composition containing same OTSUKA PHARMA CO LTD (JP) 1993-11-03 CN disclosed
US-4971957-A ANTILIPEMIC AGENTS, ANTICHOLESTEROL AGENTS, BENZENECARBOXAMIDOPHOSPHONATES OR BENZENETHIOCARBOXAMIDOPHOSPHONATES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-11-20 US disclosed
CN-1040029-A Carboxylic acid amide compounds and preparation method thereof and contain the pharmaceutical composition of this carboxylic acid amine compound OTSUKA PHARMA CO LTD (JP) 1990-02-28 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 (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-20090275555-A1 Substituted indole ligands for the ORL-1 receptor OGFRL1, OPRL1, ORMDL3 SLC6A3 436/4885SIGMAR1 20/4885HTR1A 14/4885
US-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 SLC6A3 1941/4885SIGMAR1 2620/4885HTR1A 1145/4885

“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.