SCHEMBL3553031

SCHEMBL3553031

COCCCN1C(=O)COc2ccc(CO[C@H]3CN[C@H](C(SC)c4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.41
CYP3A4 P08684 3/20 0.41
SMPD1 P17405 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
PIK3CG P48736 2/20 0.36
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 2/20 0.34
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33

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
SCHEMBL2921036 0.89 REN (0.42) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL5509732 0.83 REN (0.42) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL2923825 0.83 REN (0.42) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL2914734 0.80 TSHR (0.40) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL2924802 0.80 TSHR (0.40) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL8466898 0.80 REN (0.52) RENCYP3A4
SCHEMBL2920668 0.77 REN (0.35) RENMAPT
SCHEMBL3078776 0.77 REN (0.57) RENCYP3A4
SCHEMBL4647385 0.76 MAPT (0.41) RENCYP3A4SMPD1L3MBTL1MAPT
SCHEMBL4646330 0.75 MAPT (0.41) RENCYP3A4SMPD1L3MBTL1MAPT

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
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885CYP3A4 148/4885SMPD1 190/4885

“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.