SCHEMBL1754175

SCHEMBL1754175

CC(=O)N[C@H](C)c1cc(C)c(OC(C)=O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
ADRA2A P08913 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR2C P28335 1/20 0.46
ADRA1A P35348 1/20 0.46
HRH1 P35367 1/20 0.46
ADRA1B P35368 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
CHRNA4 P43681 1/20 0.46
HIF1A Q16665 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
BLM P54132 2/20 0.45
POLB P06746 1/20 0.40
ACHE P22303 1/20 0.40
HTT P42858 2/20 0.39

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
SCHEMBL15867097 0.77 ACHE (0.57) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL1753779 0.77 ACACB (0.51) ACACBACACAHPGDTP53
SCHEMBL16200318 0.76 ACACB (0.43) SMN1; SMN2HTTL3MBTL1ACACBKDM4E
SCHEMBL9788676 0.73 TNFSF11 (0.55) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL6064319 0.73 ACHE (0.53) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL2107612 0.71 TNFSF11 (0.46) CYP1A2SMN1; SMN2HTTL3MBTL1ACACB
SCHEMBL2107613 0.71 TNFSF11 (0.46) CYP1A2SMN1; SMN2HTTL3MBTL1ACACB
SCHEMBL5416042 0.70 MAPT (0.50) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL26009129 0.70 TNFSF11 (0.57) CYP1A2ADRA2ACYP2D6PKMADRA2B
SCHEMBL27834464 0.69 CYP1A2 (0.56) CYP1A2ADRA2ACYP2D6PKMADRA2B

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
US-8158650-B2 Substituted phenylmethyl bicyclocarboxyamide compounds PFIZER INC. (US) 2012-04-17 US disclosed
US-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER INC. 2010-04-08 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-20100087480-A1 SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS TRPV1, P2RY1, TRPV2 CYP1A2 1772/4885ADRA2A 257/4885CYP2D6 2289/4885

“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.