SCHEMBL3862880

SCHEMBL3862880

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCCC3)C2)cn1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GRM5 P41594 4/20 0.53
KMT2A Q03164 2/20 0.51
KDM5B Q9UGL1 1/20 0.51
LMNA P02545 1/20 0.51
MEN1 O00255 1/20 0.51
PDE2A O00408 1/20 0.49
VNN1 O95497 1/20 0.48
CCNK O75909 1/20 0.47
CDK12 Q9NYV4 1/20 0.47
HPGDS O60760 2/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL5746938 1.00 ALDH1A1 (0.53) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL3861404 0.99 ALDH1A1 (0.55) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL5747495 0.92 ALDH1A1 (0.47) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL3860236 0.92 ALDH1A1 (0.47) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL3857139 0.92 ALDH1A1 (0.48) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL4695544 0.91 ALDH1A1 (0.47) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL5745642 0.89 ALDH1A1 (0.53) ALDH1A1GRM5KMT2ALMNAMEN1
SCHEMBL3858189 0.89 ALDH1A1 (0.53) ALDH1A1GRM5KMT2ALMNAMEN1
SCHEMBL5748611 0.89 ALDH1A1 (0.47) ALDH1A1GRM5KMT2AKDM5BLMNA
SCHEMBL3865263 0.89 ALDH1A1 (0.47) ALDH1A1GRM5KMT2AKDM5BLMNA

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 ALDH1A1 1710/4885GRM5 4017/4885KMT2A 4101/4885

“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.