SCHEMBL5361819

SCHEMBL5361819

CS(=O)(=O)N1CCOc2ccc(CN3CCNCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CHRM3 P20309 1/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR6 P50406 3/20 0.39
RIPK2 O43353 1/20 0.39
NOD2 Q9HC29 1/20 0.39
CXCR4 P61073 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA2C P18825 1/20 0.39
CCR2 P41597 1/20 0.39
CXCL12 P48061 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
SCHEMBL5369043 0.84 FAAH (0.50) PDE3BPDE3ASMN1; SMN2LMNAHTT
SCHEMBL13185173 0.81 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2LMNAHTT
SCHEMBL5371636 0.80 PDE3B (0.53) PDE3BPDE3ASMN1; SMN2LMNAHTT
SCHEMBL3143023 0.75 CYP2D6 (0.68) SMN1; SMN2PKMKDM4EGAACYP2D6
SCHEMBL5364401 0.74 PDE3B (0.54) PDE3BPDE3ASMN1; SMN2LMNAHTT
SCHEMBL11518881 0.72 CYP2D6 (0.60) SMN1; SMN2PKMKDM4EGAACYP2D6
SCHEMBL2311279 0.72 PDE3B (0.47) PDE3BPDE3ALMNAHTTPKM
SCHEMBL11518108 0.71 FAAH (0.54) SMN1; SMN2KDM4ECYP2D6CXCR4MEN1
SCHEMBL27452486 0.71 PDE3B (0.45) PDE3BPDE3ASMN1; SMN2LMNAHTT
SCHEMBL24486502 0.70 PDE3B (0.51) PDE3BPDE3ASMN1; SMN2LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244726-B2 Heterocyclic compounds possessing affinity at 5HT1 -type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2007-07-17 US disclosed
EP-1476444-B1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LTD (GB) 2006-04-12 EP disclosed
US-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy GLAXO GROUP LIMITED (GB) 2005-04-21 US disclosed
EP-1476444-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2004-11-17 EP disclosed
WO-2003068772-A1 HETEROCYCLIC COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY GLAXO GROUP LIMITED (GB) 2003-08-21 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-20050085458-A1 Heterocyclic compounds possessing affinity at 5ht1-type receptors and use thereof in therapy HTR3C, HTR1A, HTR2C PDE3B 2191/4885PDE3A 2091/4885SMN1; SMN2 1940/4885

“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.