SCHEMBL4200544

SCHEMBL4200544

C=CCN1CC[C@@H](c2ccc(C(N)=O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.45
GAA P10253 2/20 0.43
PARP10 Q53GL7 2/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
PARP14 Q460N5 1/20 0.41
OPRK1 P41145 4/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
Hydrochloric Acid SCHEMBL4200491 0.99 GAA (0.44) CYP2C9GAAPARP10ALDH1A1LMNA
SCHEMBL1546182 0.81 DRD2 (0.45) DRD2DRD3
SCHEMBL1546173 0.81 DRD2 (0.45) DRD2DRD3
SCHEMBL1546177 0.81 DRD2 (0.45) DRD2DRD3
SCHEMBL1324482 0.80 OPRD1 (0.53) GAAALDH1A1LMNAKMT2ADRD2
Hydrochloric Acid SCHEMBL4200492 0.80 DRD2 (0.44) GAAALDH1A1LMNAKMT2ADRD2
SCHEMBL2634515 0.79 CYP2C9 (0.56) CYP2C9GAAALDH1A1LMNAKMT2A
Hydrochloric Acid SCHEMBL2634006 0.78 CYP2C9 (0.55) CYP2C9GAAALDH1A1LMNAKMT2A
SCHEMBL1546980 0.77 DRD2 (0.53) GAAALDH1A1LMNAKMT2ADRD2
SCHEMBL1546984 0.77 DRD2 (0.53) GAAALDH1A1LMNAKMT2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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-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 (1 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 CYP2C9 530/4885GAA 2613/4885PARP10 3206/4885

“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.