SCHEMBL7015153

SCHEMBL7015153

CCOC(=O)N1CCN(c2ccnc(C)c2)CC1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ AGTR2 P50052 2/20 0.41
▸ WNT3A P56704 3/20 0.41
▸ CHRM4 P08173 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ NOS1 P29475 2/20 0.39
▸ NOS2 P35228 2/20 0.39
▸ F10 P00742 1/20 0.39
▸ IDE P14735 1/20 0.38
▸ NOS3 P29474 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 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
SCHEMBL7009852 0.89 AGTR2 (0.42) AOC3AGTR2WNT3ACHRM4MAPK1
SCHEMBL7016082 0.80 NPSR1 (0.46) MAPTALDH1A1LMNACHRM4KDM4E
SCHEMBL7010020 0.78 SIGMAR1 (0.46) —
SCHEMBL7015734 0.78 NR1H2 (0.46) AOC3WNT3ACHRM4MAPK1F10
SCHEMBL7016352 0.76 SIGMAR1 (0.45) —
SCHEMBL7013012 0.76 AOC3 (0.39) AOC3AGTR2CHRM4MAPK1F10
SCHEMBL7013241 0.75 SIGMAR1 (0.42) —
SCHEMBL7020197 0.73 SIGMAR1 (0.42) —
SCHEMBL29973124 0.73 CHRM4 (0.54) AOC3CHRM4MAPK1F10
SCHEMBL7016361 0.73 LGMN (0.61) MAPTALDH1A1LMNAMAPK1KDM4E

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-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 — — 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH MAPT 4719/4885ALDH1A1 4317/4885LMNA 3485/4885

“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.

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