SCHEMBL2932983

SCHEMBL2932983

CC(=O)Nc1ccccc1CN(C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1Cc1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRD4 O60885 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
STS P08842 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
ABCB11 O95342 1/20 0.36
TGFBR1 P36897 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
MAPT P10636 1/20 0.34
PTPRB P23467 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTSD P07339 2/20 0.34
CTSE P14091 2/20 0.34
PGC P20142 2/20 0.34

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
SCHEMBL2932982 1.00 REN (0.41) RENMEN1KMT2ABRD4JAK2
SCHEMBL2929143 0.88 REN (0.44) RENMEN1KMT2AJAK2JAK1
SCHEMBL2940903 0.88 REN (0.44) RENMEN1KMT2AJAK2JAK1
SCHEMBL2940901 0.88 REN (0.44) RENMEN1KMT2AJAK2JAK1
SCHEMBL2929146 0.88 REN (0.44) RENMEN1KMT2AJAK2JAK1
SCHEMBL2938369 0.86 REN (0.41) RENMEN1KMT2AJAK2JAK1
SCHEMBL2938366 0.86 REN (0.41) RENMEN1KMT2AJAK2JAK1
SCHEMBL2934778 0.84 NR1D1 (0.43) RENMEN1KMT2AJAK2JAK1
SCHEMBL2934779 0.84 NR1D1 (0.43) RENMEN1KMT2AJAK2JAK1
SCHEMBL3606442 0.83 REN (0.44) RENMEN1KMT2AJAK2JAK1

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-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 US claimed
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-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-03-25 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

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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD REN 1/4885MEN1 1437/4885KMT2A 3722/4885
US-20100075960-A1 BENZIMIDAZOLE THIOPHENE COMPOUNDS ABCB1, CYP3A5, CYP3A4 REN 2127/4885MEN1 2423/4885KMT2A 1903/4885

“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.