SCHEMBL89401

SCHEMBL89401

COCCCN1C(=O)COc2ccc(C)cc21

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
HTT P42858 1/20 0.60
POLB P06746 3/20 0.59
TP53 P04637 1/20 0.58
REN P00797 1/20 0.57
PLK1 P53350 1/20 0.56
THRB P10828 1/20 0.54
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL89003 0.96 TSHR (0.70) TSHRHTTPOLBTP53REN
SCHEMBL89411 0.92 TSHR (0.67) TSHRHTTPOLBTP53PLK1
SCHEMBL1047741 0.87 REN (0.57) TSHRHTTPOLBTP53REN
SCHEMBL6508989 0.86 REN (0.56) TSHRHTTPOLBTP53REN
SCHEMBL55503 0.86 REN (0.61) TSHRHTTPOLBTP53REN
SCHEMBL6721804 0.86 REN (0.56) TSHRHTTPOLBTP53REN
SCHEMBL13618628 0.85 TSHR (0.64) TSHRHTTPOLBTP53PLK1
SCHEMBL4059758 0.85 TSHR (0.64) TSHRHTTPOLBTP53PLK1
SCHEMBL927855 0.85 REN (0.55) TSHRPOLBTP53RENTHRB
SCHEMBL3065160 0.85 REN (0.55) TSHRHTTPOLBTP53REN

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 15 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-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 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-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds NOVARTIS AG (CH) 2010-06-24 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP 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-20090137566-A1 Substituted Piperdines as Renin Inhibitors EHARA TAKERU 2009-05-28 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 (6 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 1095/4885HTT 943/4885POLB 589/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC TSHR 2757/4885HTT 1273/4885POLB 663/4885
US-20090137566-A1 Substituted Piperdines as Renin Inhibitors REN, ACE, AGTR1 TSHR 1818/4885HTT 1677/4885POLB 1191/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TSHR 3249/4885HTT 1746/4885POLB 277/4885
US-20100160305-A1 3, 4, 5 - Substituted Piperidine Compounds REN, ACE, PIGO TSHR 2750/4885HTT 1452/4885POLB 1062/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 TSHR 634/4885HTT 2910/4885POLB 2569/4885

“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.