SCHEMBL3616893

SCHEMBL3616893

Fc1cnn(-c2c[c]ccc2)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
TDO2 P48775 1/20 0.36
KAT6A Q92794 4/20 0.35
HPGDS O60760 1/20 0.34
ALKBH2 Q6NS38 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
GRM4 Q14833 3/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL28680202 0.79 GAA (0.37) GAAHPGDSALKBH2NPC1RAB9A
SCHEMBL533508 0.78 TDO2 (0.40) GAATDO2KAT6AHPGDSALKBH2
SCHEMBL28592022 0.76 RAB9A (0.37) GAANPC1RAB9AGRM4SMN1; SMN2
SCHEMBL160432 0.69 NOTUM (0.48) GAATDO2KAT6ANPC1DRD2
SCHEMBL29431791 0.69 EPHX2 (0.53) GAAKAT6AHPGDSALKBH2NPC1
SCHEMBL2342212 0.68 CYP2A6 (0.53) SMN1; SMN2ALDH1A1
SCHEMBL21262496 0.67 MAPT (0.44) GAATDO2KAT6ANPC1RAB9A
SCHEMBL28396373 0.67 TDO2 (0.40) GAATDO2HPGDSALKBH2NPC1
SCHEMBL11901066 0.67 TDO2 (0.47) GAATDO2HPGDSALKBH2NPC1
SCHEMBL24921152 0.67 NOTUM (0.50) GAANPC1RAB9AGRM4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN claimed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
EP-2074110-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-07-01 EP disclosed
CN-101421264-A Is suitable for treating serotonin 5HT6Heterocyclic compounds for receptor-modulated responsive disorders ABBOTT GMBH & CO KG (DE) 2009-04-29 CN disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 EP disclosed
WO-2007118900-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 WO disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A GAA 2613/4885TDO2 586/4885KAT6A 351/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C GAA 2956/4885TDO2 769/4885KAT6A 498/4885

“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.