SCHEMBL3908996

SCHEMBL3908996

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)O)C[C@@H](COS(=O)(=O)c4ccc(C)cc4)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RORC P51449 5/20 0.33
MAPT P10636 2/20 0.33
CYP2C9 P11712 1/20 0.33
REN P00797 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL1040374 0.92 MMP9 (0.36) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL1038926 0.92 REN (0.35) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3906126 0.89 RORC (0.34) RORCCYP2C9RENPOLB
SCHEMBL1036492 0.88 REN (0.37) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3912017 0.88 REN (0.37) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL5069719 0.87 REN (0.38) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3902420 0.87 REN (0.38) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL3945444 0.87 REN (0.35) THRBALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL5294202 0.87 REN (0.34) THRBALDH1A1RORCMAPTCYP2C9
SCHEMBL2684746 0.87 REN (0.34) THRBALDH1A1RORCMAPTCYP2C9

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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
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 (2 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 THRB 1478/4885ALDH1A1 1868/4885CYP3A4 32/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 THRB 2871/4885ALDH1A1 566/4885CYP3A4 674/4885

“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.