SCHEMBL3098993

SCHEMBL3098993

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
CYP2C19 P33261 1/20 0.46
CACNA1A O00555 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNB1 Q02641 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
CETP P11597 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
PRKAB2 O43741 1/20 0.42

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
SCHEMBL3108038 0.93 CHRM2 (0.54) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3108227 0.93 CHRM2 (0.49) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3089206 0.92 SMN1; SMN2 (0.53) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3104965 0.90 NPSR1 (0.52) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3097183 0.90 NPSR1 (0.52) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL27763127 0.90 CHRM2 (0.51) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3088679 0.89 CHRM2 (0.51) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3105503 0.88 CHRM2 (0.50) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL3096371 0.83 RAB9A (0.47) CHRM2CHRM1NPC1RAB9ASMN1; SMN2
SCHEMBL13158277 0.80 SMN1; SMN2 (0.51) CHRM2CHRM1NPC1RAB9ASMN1; SMN2

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 5 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
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 3470/4885NPC1 1768/4885

“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.