SCHEMBL6673592

SCHEMBL6673592

O=C(N1CCC(=C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 1/20 0.53
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
OPRD1 P41143 4/20 0.45
OPRK1 P41145 3/20 0.43
CES1 P23141 1/20 0.43
KDM1A O60341 1/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MAPK1 P28482 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2B P41595 2/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HRH1 P35367 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41

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
SCHEMBL506139 0.78 ESR1 (0.59) KDM1AESR1ESR2LMNACYP2D6
SCHEMBL2310566 0.77 SETD7 (0.49) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL24621774 0.74 KDM4E (0.53) SETD7FNTAFNTBOPRD1ESR2
SCHEMBL6209178 0.73 HSD11B1 (0.61) KDM1AHTR2A
SCHEMBL17460175 0.73 SETD7 (0.47) SETD7FNTAFNTBOPRD1OPRK1
Trifluoroacetic Acid SCHEMBL2310563 0.72 OPRD1 (0.57) SETD7OPRD1OPRK1CES1HTR2A
SCHEMBL4693977 0.72 TSHR (0.57) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL28579165 0.72 HTT (0.59) CES1KDM1AMAPK1CYP2D6
SCHEMBL12751042 0.72 SETD7 (0.46) SETD7FNTAFNTBOPRD1OPRK1
SCHEMBL1576239 0.71 MAPK1 (0.76) MAPK1LMNA

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
WO-2004028548-A2 INHIBITORS OF THE NITRIX OXIDE SYNTHASE III (NOS III) AS NEUROPROTECTIVE AGENTS CARBOMER, INC. (US) 2004-04-08 WO disclosed
US-20040063612-A1 Neuroprotective agents CARBOMER, INC. 2004-04-01 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-20040063612-A1 Neuroprotective agents GAP43, NLN, NOS3 SETD7 4835/4885FNTA 2799/4885FNTB 2421/4885

“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.