SCHEMBL1007437

SCHEMBL1007437

Cc1ccc(C(C(N)=O)N2CCCCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
NPSR1 Q6W5P4 2/20 0.57
ADRB2 P07550 1/20 0.57
GAA P10253 1/20 0.50
HTT P42858 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
TP53 P04637 1/20 0.44
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 3/20 0.43
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1007926 1.00 TSHR (0.59) TSHRNPSR1ADRB2GAAHTT
SCHEMBL1007435 1.00 TSHR (0.59) TSHRNPSR1ADRB2GAAHTT
Bromide SCHEMBL9763950 0.98 TSHR (0.58) TSHRNPSR1ADRB2GAAHTT
Bromide SCHEMBL9763944 0.98 TSHR (0.58) TSHRNPSR1ADRB2GAAHTT
SCHEMBL7437442 0.85 TSHR (0.45) TSHRNPSR1ADRB2HTTLMNA
SCHEMBL15081899 0.85 GAA (0.70) TSHRNPSR1ADRB2GAAHTT
SCHEMBL9222634 0.85 TSHR (0.61) TSHRNPSR1ADRB2GAAHTT
SCHEMBL12635268 0.85 TSHR (0.61) TSHRNPSR1ADRB2GAAHTT
SCHEMBL4777610 0.85 GAA (0.51) TSHRNPSR1ADRB2GAAHTT
SCHEMBL7278715 0.84 OPRD1 (0.50) TSHRNPSR1ADRB2HTTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US claimed
CN-104812749-B Indolecarboxamide derivant as P2X7 receptor antagonist 埃科特莱茵药品有限公司 2016-12-14 CN claimed
EP-2931717-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP claimed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US claimed
EP-2931717-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-21 EP claimed
WO-2014091415-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-19 WO claimed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US claimed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP claimed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO claimed
WO-1993012087-A1 BIS(CARBAMOYLPIPERIDYL)ALKYLENES AS PLATELET AGGREGATION INHIBITORY AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-06-24 WO claimed
US-9718774-B2 Indole carboxamide derivatives as P2X7 receptor antagonist IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-01 US disclosed
CN-104812749-B Indolecarboxamide derivant as P2X7 receptor antagonist 埃科特莱茵药品有限公司 2016-12-14 CN disclosed
EP-2931717-B1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-07 EP disclosed
US-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2015-11-12 US disclosed
EP-2931717-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2015-10-21 EP disclosed
WO-2014091415-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2014-06-19 WO disclosed
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2011-05-05 US disclosed
EP-2268616-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN Chlorion Pharma, Inc. (CA) 2011-01-05 EP disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 WO disclosed
WO-2009114950-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN CHLORION PHARMA, INC. (CA) 2009-09-24 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 (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-20150322008-A1 INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST P2RX3, P2RX7, P2RX1 TSHR 329/4885NPSR1 27/4885ADRB2 122/4885
US-20110105488-A1 SUBSTITUTED PYRROLIDINE AND PIPERIDINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS FOR TREATING PAIN PAM, PNN, NOD1 TSHR 4503/4885NPSR1 308/4885ADRB2 3352/4885

“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.