SCHEMBL7010873

SCHEMBL7010873

Cc1cc(N2CCNC(C(=O)N(C)C)C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.38
▸ F10 P00742 2/20 0.38
▸ F2 P00734 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ NOTUM Q6P988 1/20 0.35
▸ AOC3 Q16853 1/20 0.34
▸ HRH4 Q9H3N8 3/20 0.34
▸ PROKR1 Q8TCW9 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ SCN4A P35499 1/20 0.33
▸ EIF2AK4 Q9P2K8 1/20 0.33

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
SCHEMBL7018539 0.86 CHRM4 (0.40) CHRM4F10CHRM1NOTUMAOC3
SCHEMBL7018379 0.81 WNT3A (0.37) CHRM4CHRM1AOC3WNT3A
SCHEMBL7013205 0.81 CHRM4 (0.40) CHRM4F10F2PLATKLKB1
SCHEMBL7015232 0.76 CHRM4 (0.42) CHRM4F10CHRM1AOC3TMEM97
SCHEMBL3316266 0.74 ADRA1D (0.40) NOTUM
SCHEMBL7012255 0.74 REN (0.42) CHRM4HRH4WNT3A
SCHEMBL2798864 0.73 ADRB2 (0.56) HRH4
SCHEMBL7011556 0.73 CHRM4 (0.40) CHRM4F10AOC3ACACB
SCHEMBL7339407 0.73 ADRB1 (0.51) SCN4A
SCHEMBL23157973 0.72 ADRA1D (0.37) AOC3EIF2AK4

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 3076/4885F10 717/4885F2 685/4885

“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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