SCHEMBL5532649

SCHEMBL5532649

Cc1ccc(OC[C@@H]2CC[C@H](CNC(=O)c3cn[nH]c3)OC2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.41
HMOX1 P09601 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
MCHR1 Q99705 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL5521109 0.93 ACACB (0.41) ACACBHMOX1ROCK2ROCK1HPGD
SCHEMBL5522141 0.90 ACACB (0.41) ACACBHMOX1HPGDSMN1; SMN2SCN9A
SCHEMBL5520765 0.88 HSD17B10 (0.44) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5519107 0.88 ACACB (0.46) ACACBROCK2ROCK1HPGDSMN1; SMN2
SCHEMBL5516274 0.84 SMN1; SMN2 (0.49) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5519303 0.84 SMN1; SMN2 (0.49) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5518049 0.84 ACACB (0.42) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5515594 0.83 PARP10 (0.38) HPGDSMN1; SMN2ALDH1A1SCN9A
SCHEMBL5525322 0.83 ACACB (0.51) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL14451329 0.81 HSD17B10 (0.43) ACACBHPGDSMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A ACACB 1086/4885HMOX1 4717/4885ROCK2 4012/4885

“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.