SCHEMBL3466439

SCHEMBL3466439

CC[C@@H](O)CC[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 9)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.35
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RORC P51449 3/20 0.31

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
SCHEMBL13498080 0.91 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL2923834 0.91 REN (0.37) RENMEN1MAPTCRHBPHTT
SCHEMBL13435459 0.90 REN (0.34) RENRORC
SCHEMBL2923349 0.90 REN (0.34) RENRORC
SCHEMBL3465765 0.90 REN (0.35) RENMEN1MAPTCRHBPHTT
SCHEMBL13435408 0.90 REN (0.35) RENMEN1MAPTCRHBPHTT
SCHEMBL3465766 0.90 REN (0.35) RENMEN1MAPTCRHBPHTT
SCHEMBL3464431 0.90 REN (0.36) RENMEN1MAPTCRHBPHTT
SCHEMBL2922570 0.89 REN (0.34) RENMEN1MAPTCRHBPHTT
SCHEMBL4960585 0.89 REN (0.34) RENMEN1MAPTCRHBPHTT

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 1/4885MEN1 3984/4885MAPT 3109/4885

“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.