SCHEMBL6960596

SCHEMBL6960596

FC(F)(F)Oc1cccc(OCC2CCc3[nH]cnc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 1/20 0.43
S1PR1 P21453 1/20 0.43
ADRA1A P35348 3/20 0.39
PIM1 P11309 3/20 0.36
SCN9A Q15858 1/20 0.35
XDH P47989 1/20 0.34
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
PTGER2 P43116 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
KDR P35968 1/20 0.33
SLC6A9 P48067 1/20 0.33

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
SCHEMBL6967165 0.89 KDM1A (0.39) SGPL1S1PR1ADRA1AKDM1AMAOB
SCHEMBL6962600 0.87 KMT2A (0.44) ADRA1A
SCHEMBL6966951 0.83 REN (0.37) SGPL1S1PR1ADRA1AKDR
SCHEMBL6967355 0.83 ADRA1A (0.49) ADRA1A
SCHEMBL6963392 0.82 CHRNB2 (0.41) ADRA1A
SCHEMBL6962031 0.81 SLC6A2 (0.42) ADRA1A
SCHEMBL6957018 0.79 SLC6A2 (0.53) ADRA1A
SCHEMBL6964044 0.76 ADRA1A (0.37) ADRA1A
SCHEMBL6956969 0.76 CYP2D6 (0.43)
SCHEMBL6968544 0.75 TRPA1 (0.43) ADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610721-B2 Imidazo heterocyclic compounds NOVO NORDISK A/S (DK) 2003-08-26 US disclosed
EP-1268483-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2003-01-02 EP disclosed
US-20010049385-A1 Imidazo heterocyclic compounds HIGH POINT PHARMACEUTICALS, LLC 2001-12-06 US disclosed
WO-2001068651-A1 CONDENSED IMIDAZOLES AS HISTAMINE H3 RECEPTOR LIGANDS NOVO NORDISK A/S (DK) 2001-09-20 WO 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-20010049385-A1 Imidazo heterocyclic compounds HRH4, HRH3, HRH2 SGPL1 4068/4885S1PR1 1010/4885ADRA1A 212/4885

“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.