SCHEMBL2806227

SCHEMBL2806227

COCCCn1nc(C(F)(F)F)c2ccc(C(=O)OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HPGD P15428 5/20 0.41
KDM4E B2RXH2 4/20 0.41
GAA P10253 3/20 0.41
HTT P42858 2/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
REN P00797 7/20 0.40
NPSR1 Q6W5P4 1/20 0.39
NOTUM Q6P988 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL15417889 0.85 REN (0.45) PKMALDH1A1HPGDKDM4EGAA
SCHEMBL2811756 0.84 ALDH1A1 (0.44) PKMALDH1A1HPGDKDM4EGAA
SCHEMBL2807350 0.84 REN (0.48) PKMALDH1A1HPGDKDM4EGAA
SCHEMBL2804890 0.83 ALDH1A1 (0.46) PKMALDH1A1HPGDKDM4EGAA
SCHEMBL2808772 0.82 CFD (0.42) PKMALDH1A1HPGDKDM4EGAA
SCHEMBL30204298 0.81 NPC1 (0.54) PKMNPC1ALDH1A1HPGDKDM4E
SCHEMBL13132301 0.81 REN (0.37) ALDH1A1HPGDKDM4EGAAHTT
SCHEMBL13132303 0.80 PTGER4 (0.41) ALDH1A1HPGDGAAHTTKMT2A
SCHEMBL13132304 0.74 ITK (0.41) ALDH1A1HPGDKDM4EGAACYP1A2
SCHEMBL3411269 0.73 MAPK1 (0.47) PKMALDH1A1HPGDKDM4EGAA

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 7 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-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-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

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 PKM 780/4885NPC1 2995/4885ALDH1A1 2202/4885

“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.