SCHEMBL3099573

SCHEMBL3099573

COc1ccc(C(=O)C(CC(=O)C2CCN(C(=O)OCc3ccccc3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.54
CHRM1 P11229 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
HTT P42858 2/20 0.50
MITF O75030 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HIF1A Q16665 1/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
MMP9 P14780 2/20 0.48
MMP2 P08253 1/20 0.48
MMP8 P22894 1/20 0.48
GRIN2B Q13224 2/20 0.46
MAPT P10636 1/20 0.46
GAA P10253 1/20 0.43

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
SCHEMBL22589283 0.94 CHRM2 (0.51) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL3108038 0.83 CHRM2 (0.54) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL5725923 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3097695 0.82 SMN1; SMN2 (0.61) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL3098010 0.81 CHRM2 (0.53) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL22589355 0.81 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL3097183 0.80 NPSR1 (0.52) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL3104965 0.80 NPSR1 (0.52) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL27763127 0.80 CHRM2 (0.51) CHRM2CHRM1SMN1; SMN2NPC1RAB9A
SCHEMBL3088679 0.79 CHRM2 (0.51) CHRM2CHRM1SMN1; SMN2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 CHRM2 2218/4885CHRM1 3470/4885SMN1; SMN2 349/4885

“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.