SCHEMBL7009852

SCHEMBL7009852

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.42
▸ NR1H2 P55055 1/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ WNT3A P56704 6/20 0.41
▸ ROCK2 O75116 1/20 0.39
▸ PRKG1 Q13976 1/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ SLC6A7 Q99884 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ F10 P00742 1/20 0.37
▸ FAAH O00519 2/20 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
SCHEMBL7015153 0.89 MAPT (0.42) AGTR2WNT3ACHRM4AOC3SLC6A7
SCHEMBL7015734 0.83 NR1H2 (0.46) NR1H2NR1H3WNT3AROCK2PRKG1
SCHEMBL7016082 0.79 NPSR1 (0.46) NR1H2NR1H3CHRM4
SCHEMBL7013012 0.74 AOC3 (0.39) AGTR2CHRM4AOC3MAPK1CHRM1
SCHEMBL25216734 0.72 NR1H2 (0.49) AGTR2NR1H2NR1H3
SCHEMBL7018539 0.72 CHRM4 (0.40) WNT3ACHRM4AOC3MAPK1CHRM1
SCHEMBL4891157 0.71 KDM4E (0.56) MAPK1F10
SCHEMBL28805791 0.71 CHRM4 (0.46) CHRM4MAPK1
SCHEMBL7013606 0.71 CHRM1 (0.46) WNT3ACHRM4AOC3SLC6A7CHRM1
SCHEMBL21186191 0.71 HRH4 (0.50) AOC3CHRM1

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 AGTR2 1051/4885NR1H2 330/4885NR1H3 534/4885

“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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