SCHEMBL2807490

SCHEMBL2807490

COCCCn1nc(CO)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.49
ALDH1A1 P00352 1/20 0.44
MPO P05164 3/20 0.42
CNR2 P34972 3/20 0.41
CNR1 P21554 2/20 0.41
GLS O94925 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
GAA P10253 1/20 0.39
PLK1 P53350 1/20 0.39
SLC16A3 O15427 1/20 0.39
HTR4 Q13639 1/20 0.38

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
SCHEMBL13131353 0.88 REN (0.47) RENALDH1A1MPOCNR2CNR1
SCHEMBL3070090 0.87 REN (0.46) RENALDH1A1MPOCNR2CNR1
SCHEMBL19675201 0.86 KMT2A (0.46) RENALDH1A1MPOGLSKDM4E
SCHEMBL4256101 0.82 GLS (0.62) RENALDH1A1MPOCNR2CNR1
SCHEMBL27795786 0.82 KDM4E (0.50) RENALDH1A1CNR2CNR1KDM4E
SCHEMBL8242095 0.81 GLS (0.45) ALDH1A1MPOCNR2CNR1GLS
SCHEMBL2808571 0.81 MAPK8 (0.46) RENALDH1A1KDM4EHSD17B10KDM4C
SCHEMBL2807452 0.81 KDM4C (0.38) RENALDH1A1CNR2CNR1KDM4E
SCHEMBL30860204 0.81 SCN9A (0.47) RENALDH1A1MPOCNR2CNR1
SCHEMBL2809642 0.79 REN (0.48) RENALDH1A1CNR2CNR1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
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-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
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US 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
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 WO 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 (4 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885ALDH1A1 2202/4885MPO 1644/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE REN 1/4885ALDH1A1 412/4885MPO 251/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC REN 1/4885ALDH1A1 21/4885MPO 46/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO REN 1/4885ALDH1A1 36/4885MPO 14/4885

“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.