SCHEMBL3465047

SCHEMBL3465047

COCCCN1CCOc2ccc(CO[C@H]3CN[C@H](CC(C)(C)C(=O)NCC4CCCO4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
REN P00797 1/20 0.35
HTT P42858 4/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 4/20 0.34
KDM4E B2RXH2 4/20 0.34
HSD17B10 Q99714 3/20 0.34
GLA P06280 3/20 0.34
RAB9A P51151 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
PKM P14618 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
SCHEMBL3465045 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL2925282 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AHPGDSMN1; SMN2L3MBTL1
SCHEMBL2920516 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENGAA
SCHEMBL14272005 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL3561065 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL2925320 0.91 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL1040158 0.89 REN (0.36) ALDH1A1KMT2ASMN1; SMN2RENRAB9A
SCHEMBL3466476 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA
SCHEMBL8257866 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA
SCHEMBL4583132 0.89 REN (0.35) ALDH1A1KMT2ASMN1; SMN2RENLMNA

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 4 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-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

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 ALDH1A1 435/4885KMT2A 2879/4885HPGD 2099/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 ALDH1A1 222/4885KMT2A 2739/4885HPGD 784/4885

“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.