SCHEMBL2813588

SCHEMBL2813588

COCCCn1cc(C(C)=O)c2ccc(C(=O)OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 2/20 0.49
CNR2 P34972 4/20 0.48
CNR1 P21554 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR4A2 P43354 1/20 0.42
CFD P00746 2/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3350382 0.89 CNR1 (0.50) SMN1; SMN2ALDH1A1KMT2ATSHRCNR2
SCHEMBL19478892 0.86 CNR2 (0.47) SMN1; SMN2ALDH1A1KMT2ATSHRCNR2
SCHEMBL2806053 0.85 PDE4A (0.49) ALDH1A1KMT2ACNR2CNR1PKM
SCHEMBL2809318 0.84 SLC22A12 (0.45) ALDH1A1KMT2ATSHRCNR2CNR1
SCHEMBL15417986 0.84 REN (0.46) ALDH1A1KMT2ACNR2CNR1L3MBTL1
SCHEMBL12479921 0.81 CNR1 (0.47) SMN1; SMN2ALDH1A1KMT2ATSHRCNR2
SCHEMBL2807073 0.81 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2ATSHRCNR2
SCHEMBL2495561 0.79 NR4A2 (0.54) SMN1; SMN2ALDH1A1KMT2ACNR2CNR1
SCHEMBL12526801 0.79 PDE4A (0.47) SMN1; SMN2ALDH1A1KMT2ACNR2CNR1
SCHEMBL29050691 0.79 CNR2 (0.45) SMN1; SMN2ALDH1A1KMT2ATSHRCNR2

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 4 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
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SMN1; SMN2 3903/4885ALDH1A1 2202/4885KMT2A 1278/4885

“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.