SCHEMBL3858635

SCHEMBL3858635

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NCCCN3CCOCC3)C2)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MAPK14 Q16539 1/20 0.46
VNN1 O95497 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGDS O60760 1/20 0.42
MAPT P10636 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
SCHEMBL5748716 0.85 EPHX2 (0.51) EPHX1ALDH1A1
SCHEMBL5820815 0.83 VNN1 (0.42) GAASMN1; SMN2VNN1LMNAHRH3
SCHEMBL3865252 0.82 GSK3B (0.47) LMNATSHRALDH1A1MAPT
SCHEMBL5748442 0.82 GSK3B (0.47) LMNATSHRALDH1A1MAPT
SCHEMBL3864624 0.82 KDM5B (0.53) VNN1LMNAALDH1A1
SCHEMBL5745597 0.82 KDM5B (0.53) VNN1LMNAALDH1A1
SCHEMBL5747668 0.81 ALDH1A1 (0.46) VNN1LMNAALDH1A1
SCHEMBL3862802 0.81 ALDH1A1 (0.46) VNN1LMNAALDH1A1
SCHEMBL3866086 0.80 NAMPT (0.43) VNN1LMNAALDH1A1
SCHEMBL3862788 0.80 KMT2A (0.46) EPHX1VNN1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US claimed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US claimed
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US disclosed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US 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-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea FLT4, FLT1, KDR EPHX1 2403/4885GAA 2412/4885SMN1; SMN2 3676/4885

“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.