SCHEMBL5520596

SCHEMBL5520596

N#Cc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc1OCCN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.54
MCHR1 Q99705 7/20 0.47
LTA4H P09960 2/20 0.47
PTGS2 P35354 1/20 0.47
KCNH2 Q12809 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
AGER Q15109 2/20 0.43
ACHE P22303 1/20 0.43

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
SCHEMBL4690341 0.90 SIGMAR1 (0.47) HRH3SIGMAR1ACHE
SCHEMBL4696246 0.82 SGK1 (0.48) HRH3
SCHEMBL14545311 0.82 CNR1 (0.40) HRH3
SCHEMBL4694032 0.82 CHRM1 (0.38) HRH3MCHR1CHRM1HTR2A
SCHEMBL4695659 0.81 USP8 (0.40) HRH3CYP2D6
SCHEMBL4747833 0.79 USP8 (0.57) CYP2D6
SCHEMBL5521872 0.76 USP8 (0.43) CYP2D6
SCHEMBL14545599 0.74 HRH3 (0.53) HRH3MCHR1LTA4HPTGS2KCNH2
SCHEMBL4695206 0.73 CNR1 (0.46)
SCHEMBL14545380 0.73 CNR1 (0.45)

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 HRH3 226/4885MCHR1 132/4885LTA4H 2714/4885

“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.