SCHEMBL6357562

SCHEMBL6357562

O=C(CCN1CC=C(c2nccs2)CC1)c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.68
DRD2 P14416 2/20 0.54
HTR1A P08908 2/20 0.43
ADRA2C P18825 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL6352855 0.82 DRD4 (0.52) SIGMAR1DRD2DRD4
SCHEMBL6352852 0.82 DRD4 (0.52) SIGMAR1DRD2DRD4
SCHEMBL6359982 0.78 SIGMAR1 (0.52) SIGMAR1DRD2HTR1ADRD4DRD3
SCHEMBL11783486 0.76 DRD2 (0.61) SIGMAR1DRD2HTR1AADRA2CDRD4
SCHEMBL9875807 0.73 SIGMAR1 (0.72) SIGMAR1DRD2HTR1ATSHR
SCHEMBL11809344 0.72 DRD2 (0.79) SIGMAR1DRD2HTR1AADRA2CHTR2A
SCHEMBL11793421 0.70 DRD2 (1.00) SIGMAR1DRD2HTR1AADRA2CDRD4
SCHEMBL6346741 0.70 ALDH1A1 (0.46) SIGMAR1DRD2HTR1AADRA2CDRD4
SCHEMBL9879618 0.69 SIGMAR1 (1.00) SIGMAR1DRD2HTR1A
SCHEMBL11787803 0.69 DRD2 (0.64) SIGMAR1DRD2HTR1AADRA2CDRD4

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 SIGMAR1 1275/4885DRD2 1704/4885HTR1A 871/4885

“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.