SCHEMBL3554720

SCHEMBL3554720

Cc1ccccc1C1CCN(CNO)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.52
OPRL1 P41146 8/20 0.50
KCNH2 Q12809 3/20 0.50
HTR2C P28335 2/20 0.47
TRPV1 Q8NER1 1/20 0.44
DRD2 P14416 3/20 0.43
OPRM1 P35372 2/20 0.42
MCHR1 Q99705 1/20 0.42
SLC6A4 P31645 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL10277265 0.80 OPRL1 (0.52) DRD4OPRL1KCNH2DRD2OPRM1
SCHEMBL3436371 0.79 SLC18A3 (0.61) DRD4OPRL1KCNH2HTR2CDRD2
SCHEMBL11825969 0.76 OPRL1 (0.51) DRD4OPRL1KCNH2HTR2CDRD2
SCHEMBL13450177 0.76 MEN1 (0.67) DRD4OPRL1DRD2OPRM1MEN1
SCHEMBL3436370 0.76 DRD4 (0.59) DRD4OPRL1KCNH2HTR2CTRPV1
SCHEMBL10276962 0.76 HTR2C (0.47) DRD4OPRL1KCNH2HTR2CDRD2
SCHEMBL13999713 0.75 HTR2C (0.47) DRD4OPRL1KCNH2HTR2CDRD2
SCHEMBL3436372 0.75 HTR2C (0.47) DRD4OPRL1KCNH2HTR2CDRD2
SCHEMBL13085385 0.74 HTR2C (0.58) DRD4OPRL1KCNH2HTR2CTRPV1
SCHEMBL1225741 0.73 HTR2C (0.72) OPRL1KCNH2HTR2CTRPV1

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 DRD4 4535/4885OPRL1 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.