SCHEMBL6354027

SCHEMBL6354027

N#Cc1cccnc1N1CCN(CCC(=NO)c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 11/20 1.00
DRD2 P14416 7/20 0.62
HTR2A P28223 5/20 0.62
HTR1A P08908 2/20 0.53
HTR7 P34969 2/20 0.53

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
SCHEMBL6359534 1.00 DRD4 (1.00) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6354025 1.00 DRD4 (1.00) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6348942 0.88 DRD4 (0.78) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6348940 0.88 DRD4 (0.78) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6352207 0.86 DRD4 (1.00) DRD4DRD2HTR2A
SCHEMBL6352204 0.86 DRD4 (1.00) DRD4DRD2HTR2A
SCHEMBL6350053 0.84 DRD4 (0.73) DRD4DRD2HTR2AHTR1AHTR7
SCHEMBL6349970 0.84 DRD4 (0.74) DRD4DRD2HTR1A
SCHEMBL6349965 0.84 DRD4 (0.74) DRD4DRD2HTR1A
SCHEMBL6350184 0.84 DRD4 (0.72) 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 2 patents. 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 claimed
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.