SCHEMBL6000781

SCHEMBL6000781

COc1ccc2c(c1)NC(=O)C(C)(C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
THRB P10828 1/20 0.48
MAPK1 P28482 1/20 0.48
SRC P12931 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
HTR5A P47898 3/20 0.46
PDE7A Q13946 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
PGR P06401 1/20 0.42
PRNP P04156 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL16896923 0.84 OTUD7B (0.55) OTUD7BALDH1A1CYP3A4THRBMAPK1
SCHEMBL7434341 0.84 OTUD7B (0.49) OTUD7BALDH1A1CYP3A4THRBMAPK1
SCHEMBL6000884 0.80 MAOB (0.50)
SCHEMBL6000875 0.78 LMNA (0.41) ALDH1A1CYP3A4PGROPRM1OPRK1
SCHEMBL703728 0.78 MAOB (0.58) PDE3BPDE3AEIF2AK2
SCHEMBL29724095 0.78 MAOB (0.58) PDE3BPDE3AEIF2AK2
SCHEMBL5999174 0.77 PDE3B (0.59) OTUD7BALDH1A1SRCPDE3BPDE3A
SCHEMBL7430923 0.77 ALDH1A1 (0.49) OTUD7BALDH1A1CYP3A4THRBMAPK1
SCHEMBL886664 0.76 PDE7A (0.51) ALDH1A1CYP3A4THRBMAPK1PDE3B
SCHEMBL30089469 0.75 CYP3A4 (0.52) ALDH1A1CYP3A4THRBMAPK1HTR5A

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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 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-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 OTUD7B 3928/4885ALDH1A1 826/4885CYP3A4 542/4885

“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.