Sugi Predict

Sugi Predict / Compounds / SCHEMBL2920641

SCHEMBL2920641

SCHEMBL2920641

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](CCNC(=O)c4ccccc4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 4/20 0.36
▸ REN P00797 2/20 0.36
▸ MCHR1 Q99705 4/20 0.35
▸ MAOA P21397 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CHRM4 P08173 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
SCHEMBL2925215 0.93 TP53 (0.37) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2922840 0.92 TMEM97 (0.35) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2921292 0.91 TMEM97 (0.35) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2917973 0.91 TMEM97 (0.35) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2923001 0.91 TMEM97 (0.35) RENMAOATP53TMEM97SIGMAR1
SCHEMBL2920151 0.90 REN (0.35) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2917780 0.90 TP53 (0.34) RENTP53MAPTTMEM97SIGMAR1
SCHEMBL2921297 0.90 TMEM97 (0.34) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2922473 0.90 TMEM97 (0.35) RENTP53TMEM97SIGMAR1ALDH1A1
SCHEMBL2924845 0.89 NPSR1 (0.35) MCHR1MAOAKCNH2TP53MAPT

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 7 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-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
EP-1863803-A2 SUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2007-12-12 — — EP disclosed
WO-2006103277-A2 2 , 4 , 5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 — — WO 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 DRD2 1273/4885DRD3 1883/4885REN 1/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 DRD2 115/4885DRD3 303/4885REN 1/4885

“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.