SCHEMBL4486104

SCHEMBL4486104

CN=C(N)N1CC(c2ccccc2)C=N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.33
RAB9A P51151 1/20 0.32
CNR1 P21554 9/20 0.32
CNR2 P34972 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30009253 0.80 MAOB (0.40)
SCHEMBL30009763 0.80 RIPK1 (0.36) RAB9A
SCHEMBL30630035 0.80 MAOA (0.34) ATM
Hydrochloric Acid SCHEMBL31478169 0.78 RIPK1 (0.35)
SCHEMBL1843873 0.73 MAOB (0.39) HTR6RAB9ASMN1; SMN2
SCHEMBL10287802 0.70 ALDH1A1 (0.38)
SCHEMBL30591327 0.68 MAOA (0.35) SIGMAR1
SCHEMBL14275214 0.65 MAPT (0.34) RAB9AATM
SCHEMBL31262995 0.64 SIGMAR1 (0.35) HTR6CNR1CNR2SIGMAR1
SCHEMBL30591330 0.61 SLC18A3 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608718-B2 4,5-dihydro-1H-pyrazole derivatives having potent CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2009-10-27 US disclosed
US-20070259884-A1 4,5-Dihydro-1H-pyrazole derivatives having potent CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2007-11-08 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-20070259884-A1 4,5-Dihydro-1H-pyrazole derivatives having potent CB1-antagonistic activity CNR1, CNR2, GPR55 HTR6 269/4885RAB9A 1560/4885CNR1 1/4885

“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.