SCHEMBL5520536

SCHEMBL5520536

N#Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1O[C@@H]1CCOC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
CNR2 P34972 2/20 0.60
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
CHEK1 O14757 2/20 0.38
ERBB2 P04626 1/20 0.38
LRRK2 Q5S007 5/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
XDH P47989 1/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL5355586 0.76 CNR1 (1.00) CNR1CNR2
SCHEMBL5520255 0.75 TBK1 (0.41) CNR1CNR2ERBB2CYP2C9TBK1
SCHEMBL14544907 0.74 CNR1 (0.45) CNR1CNR2CHEK1
SCHEMBL5530945 0.72 ALDH1A1 (0.53) CNR1CNR2KDM4EALDH1A1RAB9A
SCHEMBL4678518 0.71 ERBB2 (0.61) ERBB2KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL14523422 0.71 GPR119 (0.50) HPGDNPSR1HSD17B10TBK1
SCHEMBL14523423 0.69 PIK3CD (0.49)
SCHEMBL4690341 0.69 SIGMAR1 (0.47) CNR1CNR2KDM4EALDH1A1RAB9A
SCHEMBL14544827 0.68 KDM1A (0.43) MAPK9CHEK1ERBB2
SCHEMBL29123956 0.68 SLC6A4 (0.50) CNR1CNR2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 CNR1 1/4885CNR2 2/4885MAPK8 3820/4885

“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.