SCHEMBL89019

SCHEMBL89019

COCCCCN1C(=O)COc2ccc(NC3CC3)cc21

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
REN P00797 1/20 0.48
POLB P06746 5/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PRKCQ Q04759 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CHRM1 P11229 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL89564 0.97 TSHR (0.57) TSHRRENPOLBKDM4ETP53
SCHEMBL89692 0.92 TSHR (0.54) TSHRRENPOLBKDM4ETP53
SCHEMBL10185293 0.88 POLB (0.47) TSHRPOLBTP53MEN1KMT2A
SCHEMBL8265645 0.84 POLB (0.46) TSHRPOLBMEN1KMT2APRKCQ
SCHEMBL56258 0.81 TSHR (0.57) TSHRRENPOLBKDM4ETP53
SCHEMBL89662 0.81 REN (0.48) TSHRRENPOLBMEN1KMT2A
SCHEMBL10184668 0.81 POLB (0.52) TSHRPOLBTP53MEN1KMT2A
SCHEMBL89003 0.81 TSHR (0.70) TSHRRENPOLBTP53MEN1
SCHEMBL8264865 0.80 REN (0.57) TSHRRENPOLBKDM4ETP53
SCHEMBL8265361 0.79 SCD (0.50) TSHRPOLBTP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
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
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP 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
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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 (3 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 TSHR 1095/4885REN 1/4885POLB 589/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885REN 1/4885POLB 663/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885REN 1/4885POLB 277/4885

“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.