SCHEMBL6357540

SCHEMBL6357540

O/N=C(/CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 1.00
DRD2 P14416 10/20 0.76
SIGMAR1 Q99720 5/20 0.70
TMEM97 Q5BJF2 3/20 0.70
DRD3 P35462 6/20 0.58
HTR1A P08908 4/20 0.58
HTR2A P28223 4/20 0.58
HTR7 P34969 4/20 0.58
HTR2C P28335 2/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ADRA2C P18825 2/20 0.54
DRD1 P21728 2/20 0.54

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
SCHEMBL6357062 1.00 DRD4 (1.00) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6357057 1.00 DRD4 (1.00) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6349808 0.88 DRD4 (0.87) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6349809 0.88 DRD4 (0.87) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6353764 0.86 DRD4 (0.76) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6348967 0.86 DRD4 (1.00) DRD4DRD2
SCHEMBL6358178 0.86 DRD4 (1.00) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6348970 0.86 DRD4 (1.00) DRD4DRD2
SCHEMBL6354321 0.86 DRD4 (1.00) DRD4DRD2SIGMAR1TMEM97DRD3
SCHEMBL6353760 0.86 DRD4 (0.76) DRD4DRD2SIGMAR1TMEM97DRD3

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 1704/4885SIGMAR1 1275/4885

“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.