Sugi Predict

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SCHEMBL2924682

SCHEMBL2924682

COCCCN1CCOc2ccc(CO[C@H]3CN[C@@H](CCNC(C)=O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 3/20 0.43
▸ MTNR1A P48039 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ THRB P10828 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ RORC P51449 3/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ TSHR P16473 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
SCHEMBL8260236 1.00 REN (0.43) RENMTNR1AMAPTSMN1; SMN2NPC1
SCHEMBL2950514 0.92 REN (0.42) RENMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3464869 0.92 REN (0.42) RENMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2923834 0.90 REN (0.37) RENMAPTSMN1; SMN2AKT1KMT2A
SCHEMBL13498080 0.90 REN (0.37) RENMAPTSMN1; SMN2AKT1KMT2A
SCHEMBL2924312 0.90 REN (0.36) RENMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3465753 0.90 REN (0.36) RENMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3464431 0.90 REN (0.36) RENMAPTSMN1; SMN2THRBCYP3A4
SCHEMBL13498081 0.89 REN (0.35) RENMAPTTHRBCYP3A4CYP2C19
SCHEMBL3465071 0.89 REN (0.35) RENMAPTTHRBCYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 — — EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 — — US disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 — — US disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 — — US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 — — US disclosed
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 — — EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 — — US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 — — US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 — — 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 (2 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 1/4885MTNR1A 3416/4885MAPT 3109/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885MTNR1A 2473/4885MAPT 4219/4885

“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.