SCHEMBL3436372

SCHEMBL3436372

[C-]#[N+]CN1CCC(c2ccccc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.47
OPRL1 P41146 9/20 0.47
KCNH2 Q12809 3/20 0.47
DRD4 P21917 1/20 0.46
OPRM1 P35372 2/20 0.42
DRD2 P14416 2/20 0.41
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.40
MCHR1 Q99705 1/20 0.39

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
SCHEMBL11825969 0.76 OPRL1 (0.51) HTR2COPRL1KCNH2DRD4OPRM1
SCHEMBL13450177 0.76 MEN1 (0.67) OPRL1DRD4OPRM1DRD2MEN1
SCHEMBL3436371 0.76 SLC18A3 (0.61) HTR2COPRL1KCNH2DRD4OPRM1
SCHEMBL10276962 0.76 HTR2C (0.47) HTR2COPRL1KCNH2DRD4DRD2
SCHEMBL13999713 0.75 HTR2C (0.47) HTR2COPRL1KCNH2DRD4OPRM1
SCHEMBL3554720 0.75 DRD4 (0.52) HTR2COPRL1KCNH2DRD4OPRM1
SCHEMBL13085385 0.74 HTR2C (0.58) HTR2COPRL1KCNH2DRD4
SCHEMBL1225741 0.73 HTR2C (0.72) HTR2COPRL1KCNH2ACHE
SCHEMBL21139621 0.73 HTR2C (0.56) HTR2COPRL1KCNH2DRD4
SCHEMBL13408187 0.73 HTR2C (0.56) HTR2COPRL1KCNH2DRD4DRD2

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HTR2C 1146/4885OPRL1 51/4885KCNH2 2075/4885

“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.