SCHEMBL7012546

SCHEMBL7012546

Cc1cc(N2CCN(OCc3ccccc3)C(C(=O)N(C)C)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.39
▸ AOC3 Q16853 1/20 0.37
▸ APP P05067 1/20 0.37
▸ F10 P00742 2/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM4 P08173 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ F2 P00734 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ SLC6A7 Q99884 1/20 0.35

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
SCHEMBL7013012 0.90 AOC3 (0.39) ACACBAOC3F10CHRM1CHRM4
SCHEMBL7010091 0.85 NR1H2 (0.41) ACACBAOC3CHRM1CHRM4MAPK1
SCHEMBL7013241 0.75 SIGMAR1 (0.42) —
SCHEMBL7016082 0.74 NPSR1 (0.46) CHRM4
SCHEMBL7016352 0.72 SIGMAR1 (0.45) —
SCHEMBL16691342 0.70 ALDH1A1 (0.48) MAPK1
SCHEMBL7010020 0.70 SIGMAR1 (0.46) CHRM1
SCHEMBL7020197 0.69 SIGMAR1 (0.42) —
SCHEMBL7010873 0.69 CHRM4 (0.38) ACACBAOC3F10CHRM1CHRM4
SCHEMBL7015153 0.68 MAPT (0.42) AOC3F10CHRM4MAPK1SLC6A7

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 ACACB 4870/4885AOC3 3593/4885APP 2918/4885

“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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