SCHEMBL6070489

SCHEMBL6070489

O=C(O)CCN1CCNC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
RET P07949 1/20 0.43
KDR P35968 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.42
APEX1 P27695 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX15 P16050 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.38
NAAA Q02083 1/20 0.38

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
SCHEMBL8194555 0.85 ALDH1A1 (0.43) KMT2ARAB9ARETKDRKDM4E
SCHEMBL8198297 0.85 ALDH1A1 (0.43) KMT2ARAB9ARETKDRKDM4E
SCHEMBL15337139 0.83 RET (0.53) KMT2ARAB9ARETKDRKDM4E
SCHEMBL6378864 0.82 ALDH1A1 (0.44) KMT2ARAB9ARETKDRKDM4E
SCHEMBL938191 0.81 KMT2A (0.39) KMT2ARAB9AKDM4EALDH1A1TSHR
SCHEMBL24530273 0.80 KMT2A (0.49) KMT2ARAB9ARETKDRKDM4E
SCHEMBL13236669 0.80 ALDH1A1 (0.50) KMT2ARAB9ARETKDRKDM4E
SCHEMBL176995 0.79 POLB (0.44) KMT2ARAB9ARETKDRKDM4E
Maleic Acid SCHEMBL8496585 0.78 ALDH1A1 (0.39) KMT2ARAB9ARETKDRKDM4E
SCHEMBL11973927 0.78 KMT2A (0.50) KMT2ARAB9AKDM4EALDH1A1LMNA

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 7 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
EP-1444231-A4 AMINE SALTS OF AN INTEGRIN RECEPTOR ANTAGONIST MERCK & CO INC (US) 2005-11-09 EP 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
EP-1444231-A1 AMINE SALTS OF AN INTEGRIN RECEPTOR ANTAGONIST Merck & Co., Inc. (US) 2004-08-11 EP disclosed
WO-2003040143-A1 AMINE SALTS OF AN INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2003-05-15 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 (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 KMT2A 4592/4885RAB9A 907/4885RET 793/4885
US-20040249158-A1 Amine salts of an integrin receptor antagonist ITGB3, ITGA1, ITGAL KMT2A 3066/4885RAB9A 1281/4885RET 361/4885

“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.