SCHEMBL3466441

SCHEMBL3466441

CCC(O)[C@H](C)[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.35
RORC P51449 5/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CRHBP P24387 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KCNH2 Q12809 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL2926312 0.87 REN (0.34) RENRORCMEN1MAPTCRHBP
SCHEMBL2922570 0.87 REN (0.34) RENRORCMEN1MAPTCRHBP
SCHEMBL4960585 0.87 REN (0.34) RENRORCMEN1MAPTCRHBP
SCHEMBL2922568 0.87 REN (0.34) RENRORCMEN1MAPTCRHBP
SCHEMBL3465765 0.87 REN (0.35) RENRORCMEN1MAPTCRHBP
SCHEMBL3465766 0.87 REN (0.35) RENRORCMEN1MAPTCRHBP
SCHEMBL13435408 0.87 REN (0.35) RENRORCMEN1MAPTCRHBP
SCHEMBL3466477 0.86 REN (0.34) RENRORCMAPTBACE1
SCHEMBL3466439 0.86 REN (0.35) RENRORCMEN1MAPTCRHBP
SCHEMBL8258251 0.85 REN (0.38) RENRORCMEN1MAPTCRHBP

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 REN 1/4885RORC 4757/4885MEN1 3984/4885

“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.