SCHEMBL4370331

SCHEMBL4370331

COCCCN1CCOc2ccc(CO[C@@H]3CC[C@@H](CC(C)(C)NC(=O)OCc4ccccc4)N(S(=O)(=O)c4ccc(C)cc4)C3)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.34
FKBP1A P62942 3/20 0.34
MMP9 P14780 4/20 0.33
MMP2 P08253 3/20 0.33
RORC P51449 2/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP1 P03956 1/20 0.32
MMP7 P09237 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MMP15 P51511 1/20 0.32
MMP16 P51512 1/20 0.32
MMP26 Q9NRE1 1/20 0.32
MAPT P10636 1/20 0.32
GAA P10253 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
SCHEMBL3940164 0.88 POLB (0.37) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL3929617 0.88 POLB (0.38) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL3933940 0.87 POLB (0.37) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL3930170 0.87 POLB (0.37) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL4053704 0.87 POLB (0.35) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL4057420 0.87 POLB (0.35) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL3941152 0.86 POLB (0.36) POLBCYP2C9RORCKMT2ALMNA
SCHEMBL4051417 0.86 REN (0.36) POLBCYP2C9KMT2ALMNASMN1; SMN2
SCHEMBL4582753 0.86 CYP2C9 (0.33) POLBCYP2C9FKBP1ARORCLMNA
SCHEMBL3936233 0.86 POLB (0.35) POLBCYP2C9KMT2ALMNASMN1; SMN2

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-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 POLB 2600/4885CYP2C9 619/4885FKBP1A 2153/4885

“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.