SCHEMBL4892167

SCHEMBL4892167

CN1CCC(c2cc(F)c(F)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
OPRL1 P41146 1/20 0.41
QDPR P09417 1/20 0.41
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THPO P40225 1/20 0.40
PLG P00747 1/20 0.39
DRD2 P14416 2/20 0.37
HTR6 P50406 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR1F P30939 2/20 0.36

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
SCHEMBL24304537 0.85 HTR1D (0.42) APPTLR9TLR8TLR7OPRL1
SCHEMBL9731082 0.80 ASAH1 (0.39) APPTLR9TLR8TLR7QDPR
SCHEMBL4975027 0.79 GRM2 (0.47) APPOPRL1DRD2SLC6A4
Hydrochloric Acid SCHEMBL9731533 0.79 ASAH1 (0.39) TLR9TLR8TLR7QDPRHTR1D
SCHEMBL9731074 0.79 ACKR3 (0.38) APPTLR9TLR8TLR7OPRL1
SCHEMBL13993850 0.78 APP (0.44) APPTLR9TLR8TLR7OPRL1
SCHEMBL14924438 0.78 OPRL1 (0.46) APPTLR9TLR8TLR7OPRL1
Hydrochloric Acid SCHEMBL9731220 0.78 ACKR3 (0.38) APPTLR9TLR8TLR7OPRL1
SCHEMBL24309549 0.77 CYP1A2 (0.55) APPOPRL1QDPRCYP1A2CYP3A4
SCHEMBL5005427 0.77 HTR1D (0.55) APPTLR9TLR8TLR7OPRL1

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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 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-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 APP 4868/4885TLR9 4629/4885TLR8 4662/4885

“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.