SCHEMBL7018539

SCHEMBL7018539

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ KHK P50053 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36
▸ PROKR1 Q8TCW9 1/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ GRM2 Q14416 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
SCHEMBL7010873 0.86 CHRM4 (0.38) CHRM4NOTUMCHRM1AOC3PROKR1
SCHEMBL7018379 0.83 WNT3A (0.37) CHRM4CHRM1AOC3WNT3A
SCHEMBL7015232 0.81 CHRM4 (0.42) CHRM4CHRM1KHKAOC3TMEM97
SCHEMBL7013205 0.76 CHRM4 (0.40) CHRM4CHRM1AOC3TMEM97WNT3A
SCHEMBL7012255 0.76 REN (0.42) CHRM4WNT3A
SCHEMBL445041 0.76 NOTUM (0.54) NOTUMMAPT
SCHEMBL7011556 0.76 CHRM4 (0.40) CHRM4AOC3MAPTF10
SCHEMBL9593972 0.75 NOTUM (0.44) NOTUMMAPT
SCHEMBL4891157 0.74 KDM4E (0.56) NOTUMMAPK1F10
SCHEMBL28805791 0.74 CHRM4 (0.46) CHRM4MAPK1

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 3076/4885NOTUM 1478/4885CHRM1 1840/4885

“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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