SCHEMBL3857196

SCHEMBL3857196

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCC(C(N)=O)CC3)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
USP30 Q70CQ3 2/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
VNN1 O95497 1/20 0.45
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE2A O00408 1/20 0.42
GRM5 P41594 1/20 0.42
KDM5A P29375 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
SCHEMBL3862880 0.89 ALDH1A1 (0.53) ALDH1A1HRH3LMNAMEN1KMT2A
SCHEMBL5746938 0.89 ALDH1A1 (0.53) ALDH1A1HRH3LMNAMEN1KMT2A
SCHEMBL5747495 0.88 ALDH1A1 (0.47) ALDH1A1HRH3LMNAMEN1KMT2A
SCHEMBL3860236 0.88 ALDH1A1 (0.47) ALDH1A1HRH3LMNAMEN1KMT2A
SCHEMBL3861404 0.88 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AVNN1
SCHEMBL4695544 0.87 ALDH1A1 (0.47) ALDH1A1HRH3LMNAMEN1KMT2A
SCHEMBL5747586 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AVNN1
SCHEMBL5748313 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AVNN1
SCHEMBL4693219 0.86 KDM5A (0.53) ALDH1A1LMNAMEN1KMT2ACCNK
SCHEMBL3858189 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2ACCNK

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 10 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
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP claimed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO 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
EP-1680415-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2006-07-19 EP disclosed
WO-2005035524-A1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENSIS INHIBITORS ABBOTT LABORATORIES (US) 2005-04-21 WO 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 1710/4885USP30 1641/4885POLB 502/4885

“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.