SCHEMBL7015734

SCHEMBL7015734

COC(=O)C1CN(c2ccnc(C)c2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ ROCK2 O75116 1/20 0.39
▸ PRKG1 Q13976 1/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ WNT3A P56704 5/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ F10 P00742 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ PHGDH O43175 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
SCHEMBL7016082 0.83 NPSR1 (0.46) NR1H2NR1H3CHRM4
SCHEMBL7009852 0.83 AGTR2 (0.42) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL7015153 0.78 MAPT (0.42) CHRM4WNT3AAOC3MAPK1F10
SCHEMBL7013606 0.76 CHRM1 (0.46) CHRM4WNT3AAOC3CHRM1PSEN1
SCHEMBL7016185 0.74 F10 (0.60) F10
SCHEMBL4573864 0.73 CHRM4 (0.57) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL28805791 0.71 CHRM4 (0.46) CHRM4MAPK1
SCHEMBL23854738 0.71 NR1H2 (0.55) NR1H2NR1H3
SCHEMBL1833567 0.71 MMP2 (0.41) NR1H2NR1H3
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 NR1H2 330/4885NR1H3 534/4885ROCK2 1957/4885

“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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