SCHEMBL90348

SCHEMBL90348

COCCCn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.71
CNR1 P21554 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 3/20 0.64
MAPT P10636 3/20 0.62
KMT2A Q03164 2/20 0.60
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.57
PTPN7 P35236 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NR4A2 P43354 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL6042188 0.92 CNR2 (0.70) CNR2CNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2936506 0.85 CNR1 (0.67) CNR2CNR1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7347589 0.84 CNR2 (0.69) CNR2CNR1ALDH1A1
SCHEMBL2076452 0.83 CNR2 (1.00) CNR2CNR1
SCHEMBL31052987 0.83 CNR2 (0.74) CNR2CNR1
SCHEMBL11903673 0.83 CNR2 (0.74) CNR2CNR1
SCHEMBL10656688 0.83 CNR2 (0.76) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL5068907 0.82 ALDH1A1 (0.56) CNR2CNR1ALDH1A1MAPTKMT2A
SCHEMBL9028491 0.82 LMNA (0.63) CNR2CNR1ALDH1A1MAPTTSHR
SCHEMBL15999011 0.82 CNR2 (0.56) CNR2CNR1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
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
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
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-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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 CNR2 3313/4885CNR1 2921/4885SMN1; SMN2 2748/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CNR2 1820/4885CNR1 1200/4885SMN1; SMN2 1867/4885

“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.