SCHEMBL89815

SCHEMBL89815

COCCCOc1cc(CNC2CC2)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
REN P00797 3/20 0.47
KDM1A O60341 2/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
ADRA2A P08913 1/20 0.45
HRH2 P25021 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL2806174 0.99 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL90448 0.95 MEN1 (0.57) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2085628 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL696157 0.85 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2086320 0.85 KMT2A (0.44) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL2807945 0.85 NPC1 (0.51) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL89209 0.84 ALDH1A1 (0.51) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL89036 0.83 HTT (0.41) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL6154627 0.80 KMT2A (0.61) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL13132096 0.79 ALDH1A1 (0.52) MEN1KMT2AALDH1A1KDM4EPOLB

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
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
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-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-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 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-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 MEN1 167/4885KMT2A 1278/4885ALDH1A1 2202/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 MEN1 2336/4885KMT2A 3129/4885ALDH1A1 38/4885

“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.