SCHEMBL3436835

SCHEMBL3436835

Cc1ccccc1C1=CCN(CC#N)CC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
HTR1A P08908 5/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 2/20 0.41
KCNA3 P22001 1/20 0.40
SUV39H2 Q9H5I1 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
HTR2A P28223 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL9676905 0.81 HTR1D (0.44) DRD2HTR1AALOX15KDM4ELMNA
Hydrochloric Acid SCHEMBL9324885 0.81 HTR1D (0.44) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL8683919 0.80 KCNA3 (0.58) DRD2HTR1ADRD4KCNA3
SCHEMBL10576624 0.78 DRD2 (0.48) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL9536817 0.78 DRD2 (0.48) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL2395487 0.78 DRD2 (0.59) DRD2HTR1ALMNADRD4HTR2A
SCHEMBL3436392 0.77 DRD2 (0.43) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL3554023 0.77 DRD2 (0.43) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL3436391 0.75 KDM4E (0.45) DRD2HTR1AALOX15KDM4ELMNA
SCHEMBL9326213 0.74 HTR1A (0.47) DRD2HTR1ADRD4

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 DRD2 3571/4885HTR1A 1745/4885ALOX15 2950/4885

“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.