SCHEMBL2521850

SCHEMBL2521850

N#Cc1cccc(C2=CCC(C(=O)NN)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.41
USP30 Q70CQ3 2/20 0.39
GSK3B P49841 1/20 0.39
CTSC P53634 1/20 0.38
PAX8 Q06710 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
TP53 P04637 1/20 0.36
NOTUM Q6P988 1/20 0.36
KMT2A Q03164 1/20 0.36
IDO1 P14902 1/20 0.36
PDE4D Q08499 2/20 0.36
LRRK2 Q5S007 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
HPGDS O60760 1/20 0.35
UCHL1 P09936 1/20 0.35

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
SCHEMBL2521851 1.00 MCHR1 (0.41) MCHR1USP30GSK3BCTSCPAX8
SCHEMBL2523971 0.85 NOTUM (0.47) MCHR1USP30GSK3BPAX8XDH
SCHEMBL2523974 0.85 NOTUM (0.47) MCHR1USP30GSK3BPAX8XDH
SCHEMBL2511131 0.78 CNR2 (0.44) MCHR1TSHR
SCHEMBL2511133 0.78 CNR2 (0.44) MCHR1TSHR
SCHEMBL27617541 0.77 CLK4 (0.41) MCHR1XDHSLC22A12NOTUMKMT2A
SCHEMBL2519963 0.76 SLC5A1 (0.41) GSK3BNOTUM
SCHEMBL2519966 0.76 SLC5A1 (0.41) GSK3BNOTUM
SCHEMBL2526293 0.74 HDAC1 (0.39)
SCHEMBL2526295 0.74 HDAC1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
EP-2558467-B1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES AS VASOPRESSIN ANTAGONISTS HOFFMANN LA ROCHE (CH) 2017-05-17 EP disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
US-8461151-B2 Aryl-/heteroaryl-cyclohexenyl-tetraazabenzo[e]azulenes HOFFMANN-LA ROCHE INC. (US) 2013-06-11 US disclosed
EP-2558467-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E]AZULENES AS VASOPRESSIN ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2013-02-20 EP disclosed
WO-2011128265-A1 ARYL - /HETEROARYL - CYCLOHEXENYL - TETRAAZABENZO [E] AZULENES AS VASOPRESSIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2011-10-20 WO disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 US disclosed
US-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES F. HOFFMANN-LA ROCHE AG (CH) 2011-10-13 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-20110251183-A1 ARYL-/HETEROARYL-CYCLOHEXENYL-TETRAAZABENZO[E]AZULENES OXTR, AVPR1B, AVPR1A MCHR1 93/4885USP30 1527/4885GSK3B 3722/4885

“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.