SCHEMBL7011556

SCHEMBL7011556

CCOC(=O)CC1CN(c2ccnc(C)c2)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.40
▸ AOC3 Q16853 1/20 0.38
▸ ADRB1 P08588 2/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACACB O00763 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ PRKCQ Q04759 1/20 0.35
▸ PRKCD Q05655 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
SCHEMBL7015888 0.87 CHRM4 (0.39) CHRM4AOC3ADRB1F10PRKCA
SCHEMBL7015232 0.86 CHRM4 (0.42) CHRM4AOC3ADRB1F10PRKCA
SCHEMBL7013205 0.86 CHRM4 (0.40) CHRM4AOC3ADRB1ACACBF10
SCHEMBL7012255 0.83 REN (0.42) CHRM4ADRB1PRKCAPRKCQPRKCD
SCHEMBL29973124 0.80 CHRM4 (0.54) CHRM4AOC3KMT2AACACBF10
SCHEMBL7010881 0.78 LDHA (0.45) CHRM4AOC3F10GAA
SCHEMBL7018539 0.76 CHRM4 (0.40) CHRM4AOC3MAPTF10
SCHEMBL7010873 0.73 CHRM4 (0.38) CHRM4AOC3ACACBF10
SCHEMBL7018379 0.72 WNT3A (0.37) CHRM4AOC3
SCHEMBL7015153 0.72 MAPT (0.42) CHRM4AOC3ALDH1A1MAPTLMNA

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 CHRM4 3076/4885AOC3 3593/4885ADRB1 3702/4885

“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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