SCHEMBL7568458

SCHEMBL7568458

CCN1CCN(c2cccc3ccc(-c4cccc(NS(C)(=O)=O)c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.49
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
PTK2 Q05397 2/20 0.49
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49
HTR2B P41595 1/20 0.49
CYP1A2 P05177 8/20 0.48
CYP3A4 P08684 8/20 0.48
CLK4 Q9HAZ1 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HIF1A Q16665 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 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
SCHEMBL6313134 0.88 CYP1A2 (0.61) KCNH2DRD2DRD3PTK2HTR1A
SCHEMBL9275980 0.70 HTR1A (0.57) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL9053380 0.70 CYP2D6 (0.43) KCNH2HTR1AHTR1DHTR1BLMNA
SCHEMBL6305611 0.68 HTR1A (0.48) DRD2DRD3HTR1AHTR1DHTR1B
SCHEMBL21180000 0.67 KIF11 (0.62) KCNH2CYP1A2CYP3A4CLK4LMNA
SCHEMBL6308342 0.67 CHRM1 (0.62) MEN1KMT2ACYP2D6CYP2C9SMN1; SMN2
SCHEMBL21092440 0.66 KIF11 (0.69) CYP1A2CYP3A4CLK4LMNAMAPK1
SCHEMBL28843821 0.65 DRD2 (0.56) KCNH2DRD2DRD3PTK2HTR1A
SCHEMBL22823902 0.65 GRIA2 (0.69) KCNH2CYP1A2CYP3A4CLK4LMNA
SCHEMBL7179130 0.65 KIF11 (0.68) CYP1A2CYP3A4LMNAALDH1A1GRIA2

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-20020058811-A1 Naphthalene derivatives CHENARD BERTRAND L (US) 2002-05-16 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-20020058811-A1 Naphthalene derivatives HTR4, CNR1, CNR2 KCNH2 304/4885DRD2 121/4885DRD3 168/4885

“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.