SCHEMBL3903004

SCHEMBL3903004

COCCCOc1ccc([C@@H]2CCN(C(=O)OO)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.40
PIK3CD O00329 3/20 0.34
PIK3CA P42336 3/20 0.34
GRM5 P41594 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3072342 0.89 CHRNB2 (0.39) RENGRM5ALDH1A1
SCHEMBL3078297 0.88 REN (0.38) RENGRM5ALDH1A1
SCHEMBL3072480 0.88 REN (0.38) RENGRM5ALDH1A1
SCHEMBL3072664 0.87 GRM5 (0.40) RENGRM5ALDH1A1
SCHEMBL3073189 0.87 REN (0.38) RENGRM5ALDH1A1
SCHEMBL3077065 0.87 REN (0.37) RENGRM5ALDH1A1
SCHEMBL3074775 0.87 REN (0.37) RENGRM5ALDH1A1
SCHEMBL3061273 0.86 MET (0.39) RENGRM5
SCHEMBL3070416 0.85 PDE4B (0.37) RENGRM5
SCHEMBL3065614 0.85 REN (0.37) RENGRM5ALDH1A1

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 REN 1/4885PIK3CD 1927/4885PIK3CA 1091/4885

“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.