SCHEMBL6204670

SCHEMBL6204670

CN1CCCN(C(=O)[C@@H]2C(=S)CCN2C(=O)OCc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.49
TMEM97 Q5BJF2 10/20 0.49
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD1 P21728 1/20 0.44
HRH2 P25021 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR1E P28566 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CHRM1 P11229 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL6204169 0.87 PARP1 (0.45)
SCHEMBL6204672 0.80 PREP (0.61) SIGMAR1TMEM97L3MBTL1
SCHEMBL7400021 0.80 NPC1 (0.52) HTR2CL3MBTL1
SCHEMBL24091701 0.80 TMEM97 (0.60) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL16303302 0.78 SMN1; SMN2 (0.52) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL31097159 0.77 PREP (0.48) SIGMAR1TMEM97
SCHEMBL19361903 0.76 PREP (0.65) L3MBTL1
SCHEMBL2607031 0.74 MEN1 (0.66) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL24673292 0.74 MEN1 (0.66) SIGMAR1TMEM97HTR1AADRA2AADRA2B
SCHEMBL9701698 0.73 DPP4 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399436-B1 OXYTOCIN AGONISTS FERRING BV (NL) 2005-03-16 EP disclosed
US-20040235753-A1 Oxytocin agonists PITT GRAY ROBERT WILLIAM (GB) 2004-11-25 US 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-20040235753-A1 Oxytocin agonists OXTR, GNRHR, PRLHR SIGMAR1 535/4885TMEM97 1439/4885HTR1A 224/4885

“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.