SCHEMBL2808772

SCHEMBL2808772

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SCARB1 Q8WTV0 1/20 0.37
RAB9A P51151 1/20 0.37
REN P00797 1/20 0.37
PTGER4 P35408 2/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL2811756 0.86 ALDH1A1 (0.44) ALDH1A1TSHRGAAKDM4EGLA
SCHEMBL2807350 0.86 REN (0.48) ALDH1A1TSHRGAAKDM4EGLA
SCHEMBL15417889 0.85 REN (0.45) ALDH1A1TSHRGAAKDM4EGLA
SCHEMBL2804890 0.85 ALDH1A1 (0.46) ALDH1A1TSHRGAAKDM4EGLA
SCHEMBL12480012 0.82 CFD (0.48) CFDALDH1A1TSHRGAAKDM4E
SCHEMBL2806227 0.82 PKM (0.41) ALDH1A1TSHRGAAKDM4EGLA
SCHEMBL17324730 0.80 CNR1 (0.48) ALDH1A1TSHRKDM4EHSD17B10REN
SCHEMBL28469651 0.80 ALDH1A1 (0.44) CFDALDH1A1TSHRGAAKDM4E
SCHEMBL12479114 0.77 CFD (0.46) CFDALDH1A1TSHRGAAKDM4E
SCHEMBL3071892 0.77 ELANE (0.53) KDM4ECNR1CNR2

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 2 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-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 CFD 539/4885ALDH1A1 2202/4885TSHR 807/4885

“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.