SCHEMBL4911786

SCHEMBL4911786

COCCCCC1(CNC(=O)[C@H]2C[C@@H](C(=O)N(C)Cc3ccccn3)CN(C(=O)OC(C)(C)C)C2)c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.48
USP30 Q70CQ3 2/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
TACR1 P25103 1/20 0.31
RORC P51449 1/20 0.31
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL14089234 1.00 REN (0.48) RENUSP30KMT2ALMNATHRB
SCHEMBL4903390 0.92 REN (0.47) RENUSP30LMNATHRBKDM4E
SCHEMBL14089237 0.92 REN (0.47) RENUSP30LMNATHRBKDM4E
SCHEMBL14089253 0.92 REN (0.49) RENUSP30LMNATHRBKDM4E
SCHEMBL4911727 0.92 REN (0.49) RENUSP30LMNATHRBKDM4E
SCHEMBL4910578 0.90 REN (0.51) RENUSP30LMNAKDM4EALDH1A1
SCHEMBL14089232 0.90 REN (0.51) RENUSP30LMNAKDM4EALDH1A1
SCHEMBL14089248 0.89 REN (0.47) RENUSP30TACR1RORCSMN1; SMN2
SCHEMBL4903346 0.89 REN (0.47) RENUSP30TACR1RORCSMN1; SMN2
SCHEMBL4903087 0.87 REN (0.51) RENUSP30

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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors BAESCHLIN DANIEL KASPAR 2008-08-14 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-20080194629-A1 3-Mono-and 3,5-Disubstituted Piperidine Derivatives as Renin Inhibitors REN, ACE, AGTR1 REN 1/4885USP30 2082/4885KMT2A 2465/4885

“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.