SCHEMBL3914447

SCHEMBL3914447

COCCCOc1ccc([C@@H]2[C@@H](O)CN(C(=O)O)C[C@H]2O[Si](C(C)C)(C(C)C)C(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.35
GPR88 Q9GZN0 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
USP30 Q70CQ3 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 2/20 0.32
P2RY12 Q9H244 2/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
REN P00797 2/20 0.31
RARB P10826 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL3943583 0.98 KDM4E (0.34) ACACBGPR88SMN1; SMN2USP30S1PR1
SCHEMBL3905395 0.87 PAX8 (0.36) SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL3912300 0.86 KDM4E (0.30) SMN1; SMN2KDM4EALDH1A1THRB
SCHEMBL1037741 0.85 NPC1 (0.39) SMN1; SMN2KDM4ERENMMP3MMP9
SCHEMBL3948391 0.85 REN (0.44) REN
SCHEMBL2682844 0.84 GAA (0.41) ACACBSMN1; SMN2ALDH1A1MMP2MMP9
SCHEMBL2684607 0.82
SCHEMBL2684431 0.81 TSHR (0.36) SMN1; SMN2KDM4EMAPK1ALDH1A1HPGD
SCHEMBL5281026 0.81 TSHR (0.36) SMN1; SMN2KDM4EMAPK1ALDH1A1HPGD
SCHEMBL3912312 0.80

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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE ACACB 4262/4885GPR88 2130/4885SMN1; SMN2 4035/4885

“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.