SCHEMBL3100698

SCHEMBL3100698

Cc1ccc(-c2cc(C3CCN(C(=O)OCc4ccccc4)CC3)nn2-c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.55
TRPC3 Q13507 2/20 0.50
TRPC7 Q9HCX4 2/20 0.50
ALOX5 P09917 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GRIN2B Q13224 3/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.46
PRMT5 O14744 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL3093698 0.95 MGLL (0.55) MGLLTRPC3TRPC7ALOX5SMN1; SMN2
SCHEMBL13158575 0.92 MGLL (0.54) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3109291 0.91 MGLL (0.58) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3100058 0.90 MGLL (0.49) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3100073 0.90 MDM2 (0.56) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3099562 0.89 MGLL (0.56) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3098084 0.88 MGLL (0.55) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL3096845 0.88 MGLL (0.55) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL13993243 0.88 MGLL (0.53) MGLLTRPC3TRPC7SMN1; SMN2NPC1
SCHEMBL20135557 0.79 TRPC3 (0.53) TRPC3TRPC7SMN1; 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 2 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
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 MGLL 1894/4885TRPC3 785/4885TRPC7 287/4885

“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.