SCHEMBL6359140

SCHEMBL6359140

Cc1cccc(C(=O)CCN2CCN(c3ncccc3C#N)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.60
DRD2 P14416 7/20 0.53
HTR2A P28223 6/20 0.53
HTR1A P08908 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTR7 P34969 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD3 P35462 1/20 0.50
THPO P40225 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD11B1 P28845 2/20 0.48

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
SCHEMBL6350053 0.87 DRD4 (0.73) DRD4DRD2HTR2AHTR1AKDM4E
SCHEMBL6348942 0.86 DRD4 (0.78) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6348940 0.86 DRD4 (0.78) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL4011209 0.83 DRD4 (0.73) DRD4DRD2HTR2AKDM4EALDH1A1
SCHEMBL6357918 0.82 DRD4 (0.82) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6357920 0.82 DRD4 (0.82) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6349673 0.79 HTR1A (0.76) DRD4DRD2HTR2AHTR1AKDM4E
SCHEMBL4003927 0.77 DRD4 (0.73) DRD4DRD2ALDH1A1DRD3HSD11B1
SCHEMBL6360620 0.75 HTR1A (0.69) DRD4HTR1AALDH1A1
SCHEMBL6354027 0.75 DRD4 (1.00) DRD4DRD2HTR2AHTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2005-08-11 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-20050176727-A1 Oximes and hydrazones that are useful in treating sexual dysfunction CYP19A1, SHBG, CYP17A1 DRD4 1272/4885DRD2 1704/4885HTR2A 1588/4885

“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.