SCHEMBL4105083

SCHEMBL4105083

CCCn1c(=O)[nH]c(N)c(NC(=O)C23CC4CC(CC2C4)C3)c1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
SLC6A3 Q01959 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
CNR2 P34972 4/20 0.38
CNR1 P21554 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DHFR P00374 1/20 0.35
MAPT P10636 1/20 0.35
P2RX7 Q99572 1/20 0.33
SIGMAR1 Q99720 2/20 0.33

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
SCHEMBL8705477 0.85 KDM4E (0.47) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL7279899 0.83 ADORA1 (0.44) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL14267083 0.82 LMNA (0.41) ADORA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7279799 0.81 CNR2 (0.40) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL8705434 0.78 ADORA1 (0.39) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL8208161 0.77 ALDH1A1 (0.40) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL7436318 0.77 ADORA1 (0.46) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL7269080 0.76 CNR2 (0.39) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL8397308 0.75 ADORA2A (0.42) ADORA1ADORA3ADORA2AADORA2BSLC6A3
SCHEMBL12079923 0.74 ADORA1 (0.52) ADORA1ADORA3ADORA2AADORA2BMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061793-A2 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER Novacardia, Inc. (US) 2009-05-27 EP disclosed
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
WO-2008024277-A2 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER NOVACARDIA, INC. (US) 2008-02-28 WO disclosed
WO-2008024277-A2 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER NOVACARDIA, INC. (US) 2008-02-28 WO disclosed
EP-0415456-B1 Xanthine compounds KYOWA HAKKO KOGYO KK (JP) 1996-06-26 EP disclosed
US-5525607-A DIURETICS, BRONCHODILATORS, RENAL PROTECTING AGENTS KYOWA HAKKO KOGYO CO., LTD (JP) 1996-06-11 US disclosed
US-5290782-A Bronchodilator agents, diuretics for renal protective agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-01 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-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER DCX, FLT4, KDR ADORA1 637/4885ADORA3 227/4885ADORA2A 98/4885

“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.