Sugi Predict

Sugi Predict / Compounds / SCHEMBL3606442

SCHEMBL3606442

SCHEMBL3606442

CC(=O)NCc1cccc(CN(C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2Cc2ccccc2)c2ccc(Cl)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 6/20 0.44
▸ TACR1 P25103 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TP53 P04637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CTSE P14091 1/20 0.36
▸ PGC P20142 1/20 0.36
▸ STS P08842 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ KCNK9 Q9NPC2 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
SCHEMBL2932386 0.89 REN (0.46) RENTACR1MEN1KMT2ATP53
SCHEMBL3611195 0.89 REN (0.46) RENTACR1MEN1KMT2ATP53
SCHEMBL2932387 0.89 REN (0.46) RENTACR1MEN1KMT2ATP53
SCHEMBL2938751 0.89 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL2936887 0.89 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL2930620 0.89 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL2936409 0.87 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL8263139 0.87 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL2936411 0.87 REN (0.45) RENTACR1MEN1KMT2ATP53
SCHEMBL3606439 0.85 REN (0.42) RENTACR1MEN1KMT2ATP53

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
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 — — EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 — — US disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 — — US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 — — EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 — — WO disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 — — 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 (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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD REN 1/4885TACR1 438/4885MEN1 1437/4885

“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.