SCHEMBL3465054

SCHEMBL3465054

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.35
FKBP1A P62942 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL2924858 1.00 RORC (0.35) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2924813 1.00 RORC (0.35) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2919239 0.96 RORC (0.35) RORCCYP2C9KMT2A
SCHEMBL2919237 0.96 RORC (0.35) RORCCYP2C9KMT2A
SCHEMBL2919274 0.96 RORC (0.35) RORCCYP2C9KMT2A
SCHEMBL2919069 0.95 RORC (0.36) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2919072 0.95 RORC (0.36) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2920447 0.95 RORC (0.36) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2919684 0.95 RORC (0.36) RORCFKBP1ACYP2C9LMNAALDH1A1
SCHEMBL2944665 0.95 RORC (0.36) RORCFKBP1ACYP2C9LMNAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 RORC 4757/4885FKBP1A 3930/4885CYP2C9 3835/4885

“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.