SCHEMBL6070484

SCHEMBL6070484

CC(C(=O)O)N1CCNC1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.35
FAAH O00519 1/20 0.34
NAAA Q02083 1/20 0.34
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL14390809 0.89 ACE (0.42) ACEALDH1A1MEN1KMT2ANPSR1
SCHEMBL26452827 0.84 NPSR1 (0.36) ALDH1A1NPSR1TSHRPOLBFAAH
SCHEMBL22122404 0.81 RAB9A (0.41) ALDH1A1NPSR1TSHRPOLBFAAH
SCHEMBL2059432 0.81 RAB9A (0.41) ALDH1A1NPSR1TSHRPOLBFAAH
SCHEMBL938190 0.81 ACE (0.33) ACEALDH1A1MEN1KMT2ACSNK2A2
SCHEMBL9012497 0.78 NPSR1 (0.33) ALDH1A1NPSR1POLBFAAHNAAA
SCHEMBL367449 0.77
SCHEMBL29237864 0.77 TOP2A (0.36) ALDH1A1MEN1KMT2ANPSR1TSHR
SCHEMBL17234427 0.77 ACE (0.31) ACEALDH1A1
SCHEMBL18528387 0.77 ACE (0.31) ACEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074930-B2 Amine salts of an integrin receptor antagonist MERCK & CO., INC (US) 2006-07-11 US disclosed
US-6916810-B2 αν integrin receptor antagonists MERCK & CO., INC. (US) 2005-07-12 US disclosed
US-20040249158-A1 Amine salts of an integrin receptor antagonist MERCK & CO., INC. 2004-12-09 US disclosed
US-20040192670-A1 Alpha v integrin receptor antagonists MERCK & CO., INC. 2004-09-30 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 (2 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-20040192670-A1 Alpha v integrin receptor antagonists ITGAV, ITGA5, ITGB5 ACE 4067/4885ALDH1A1 2630/4885MEN1 1580/4885
US-20040249158-A1 Amine salts of an integrin receptor antagonist ITGB3, ITGA1, ITGAL ACE 4271/4885ALDH1A1 1465/4885MEN1 1563/4885

“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.