SCHEMBL3863204

SCHEMBL3863204

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NC3CCC(C)CC3)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM5A P29375 3/20 0.46
KDM5B Q9UGL1 3/20 0.46
KDM5C P41229 1/20 0.46
CCNK O75909 2/20 0.46
CDK12 Q9NYV4 2/20 0.46
GRM5 P41594 4/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
VNN1 O95497 1/20 0.44
PDE2A O00408 1/20 0.43
EPHX2 P34913 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
SCHEMBL3867365 0.91 ALDH1A1 (0.51) EPHX1ALDH1A1KDM5AKDM5BKDM5C
SCHEMBL5746443 0.91 ALDH1A1 (0.51) EPHX1ALDH1A1KDM5AKDM5BKDM5C
SCHEMBL5748631 0.90 ALDH1A1 (0.53) EPHX1ALDH1A1KDM5BGRM5LMNA
SCHEMBL3856964 0.90 ALDH1A1 (0.53) EPHX1ALDH1A1KDM5BGRM5LMNA
SCHEMBL3861456 0.90 ALDH1A1 (0.53) EPHX1ALDH1A1KDM5BGRM5LMNA
SCHEMBL5746899 0.90 ALDH1A1 (0.53) EPHX1ALDH1A1KDM5BGRM5LMNA
SCHEMBL5909080 0.86 VNN1 (0.53) ALDH1A1KDM5ACCNKCDK12GRM5
SCHEMBL5909117 0.86 ALDH1A1 (0.52) ALDH1A1KDM5ACCNKCDK12GRM5
SCHEMBL5909284 0.86 VNN1 (0.53) ALDH1A1KDM5ACCNKCDK12GRM5
SCHEMBL5745597 0.84 KDM5B (0.53) ALDH1A1KDM5BCCNKCDK12GRM5

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 2403/4885ALDH1A1 1710/4885KDM5A 1429/4885

“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.