SCHEMBL3464869

SCHEMBL3464869

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CCNC(=O)c4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.42
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 2/20 0.36
MAOA P21397 1/20 0.36
DRD4 P21917 1/20 0.35
RORC P51449 2/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
BCL3 P20749 1/20 0.35
KDM1A O60341 1/20 0.35

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
SCHEMBL2950514 1.00 REN (0.42) RENDRD2DRD3MAPTRAB9A
SCHEMBL8260236 0.92 REN (0.43) RENMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2924682 0.92 REN (0.43) RENMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3465258 0.89 MAPT (0.39) RENMAPTSMN1; SMN2MCHR1RORC
SCHEMBL2923834 0.88 REN (0.37) RENMAPTSMN1; SMN2KCNH2
SCHEMBL13498080 0.88 REN (0.37) RENMAPTSMN1; SMN2KCNH2
SCHEMBL2924312 0.88 REN (0.36) RENMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2953872 0.88 REN (0.40) REN
SCHEMBL3465753 0.87 REN (0.36) RENMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2920387 0.87 MAPT (0.41) RENMAPTMAOAALDH1A1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1/4885DRD2 1273/4885DRD3 1883/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885DRD2 115/4885DRD3 303/4885

“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.