SCHEMBL2809626

SCHEMBL2809626

CCOC(=O)c1cc(OCc2ccccc2)c2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PPIA P62937 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.45
CDC25B P30305 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL27158539 0.91 KMT2A (0.55) MRGPRX4SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL13379254 0.89 MAOB (0.47) MRGPRX4PPIASMN1; SMN2HPGDNPC1
SCHEMBL1501701 0.87 ELANE (0.45) PPIASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8180897 0.87 PPIA (0.44) MRGPRX4PPIASMN1; SMN2HPGDNPC1
SCHEMBL20975261 0.87 HPGD (0.60) MRGPRX4PPIASMN1; SMN2HPGDNPC1
SCHEMBL6206631 0.86 MAOB (0.51) MRGPRX4SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL8133701 0.84 MRGPRX4 (0.49) MRGPRX4PPIASMN1; SMN2HPGDNPC1
SCHEMBL28633934 0.84 KDM4E (0.56) MRGPRX4CA12CA1CA2CA7
SCHEMBL6959477 0.84 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2HPGDNPC1RAB9A
SCHEMBL30696120 0.84 MRGPRX4 (0.66) MRGPRX4SMN1; SMN2HPGDNPC1RAB9A

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
WO-2018178226-A1 MCL-1 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2018-10-04 WO disclosed
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
CN-101679324-B Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2012-10-03 CN 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
CN-101679324-A Morpholine derivatives MITSUBISHI TANABE PHARMA CORP 2010-03-24 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US 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 MRGPRX4 234/4885CA12 4571/4885CA1 4330/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 MRGPRX4 914/4885CA12 2820/4885CA1 124/4885

“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.