SCHEMBL12690195

SCHEMBL12690195

Cc1ccc(F)c(C2(C)CCCCC2CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.37
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
FFAR4 Q5NUL3 1/20 0.33
SLC6A2 P23975 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
OPRM1 P35372 3/20 0.32
RAB9A P51151 1/20 0.32
TRPA1 O75762 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL12690197 0.85 BACE1 (0.41) SLC6A4SLC6A3GRIN1GRIN2AOPRM1
SCHEMBL12690144 0.76 GLA (0.32) GLASLC6A3SLC6A2ALDH1A1
SCHEMBL7759656 0.67 OPRM1 (0.38) SLC6A2GRIN1GRIN2AOPRM1TRPA1
SCHEMBL12690192 0.67 BACE1 (0.32) GLASLC6A2
SCHEMBL12690147 0.63 SLC6A2 (0.34) GLASLC6A4SLC6A3FFAR4SLC6A2
SCHEMBL2271940 0.63 SIGMAR1 (0.44) SLC6A4SLC6A3SLC6A2OPRM1NISCH
SCHEMBL12690205 0.62 SLC6A2 (0.32) GLASLC6A4SLC6A3SLC6A2GRIN1
SCHEMBL21470500 0.62 BACE1 (0.40) SLC6A4SLC6A3PSEN1PSEN2APH1B
SCHEMBL16517997 0.62 DPP4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL12893317 0.62 ESR1 (0.54) SLC6A4SLC6A3SLC6A2ALDH1A1

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-20120245155-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP SHIONOGI & CO., LTD. (JP) 2012-09-27 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-20120245155-A1 FUSED HETEROCYCLIC COMPOUND HAVING AMINO GROUP APP, IAPP, BACE1 GLA 140/4885SLC6A4 1079/4885SLC6A3 1370/4885

“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.