SCHEMBL90483

SCHEMBL90483

COCCCOc1cc(CNC2CC2)cc2c1CCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TSHR P16473 2/20 0.36
MITF O75030 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
KCNH2 Q12809 2/20 0.35
CXCR3 P49682 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A4 P31645 1/20 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
SCHEMBL56099 0.93 ALDH1A1 (0.41) RENALDH1A1KDM4EPOLBKMT2A
SCHEMBL89741 0.87 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL13132075 0.81 REN (0.42) RENALDH1A1KDM4EPOLBKMT2A
SCHEMBL89104 0.81 REN (0.42) RENALDH1A1CYP3A4CXCR3HTR1A
SCHEMBL2810313 0.80 REN (0.43) RENCXCR3HTR1ASLC6A4
SCHEMBL13132011 0.80 REN (0.41) RENCXCR3HTR1ASLC6A4
SCHEMBL13132076 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL13132074 0.77 ALDH1A1 (0.41) RENALDH1A1KDM4EPOLBKMT2A
SCHEMBL89687 0.77 REN (0.47) RENKMT2AMEN1KCNH2HTR1A
SCHEMBL18508727 0.77 DRD2 (0.34) RENKDM4EKMT2AMEN1HTT

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 10 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-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 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
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 REN 1/4885ALDH1A1 2202/4885KDM4E 689/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 REN 1/4885ALDH1A1 38/4885KDM4E 1650/4885

“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.