SCHEMBL7477048

SCHEMBL7477048

CN1C(=O)COc2cc(CBr)ccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.51
HTR2C P28335 3/20 0.51
GABRA5 P31644 3/20 0.50
CYP11B2 P19099 2/20 0.50
GABRA1 P14867 1/20 0.50
CYP11B1 P15538 1/20 0.50
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
PRKCQ Q04759 1/20 0.43
IDH1 O75874 1/20 0.41
GABRG2 P18507 2/20 0.40
GABRB3 P28472 2/20 0.40
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NMT1 P30419 1/20 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
SCHEMBL8785675 0.88 HTR1A (0.55) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL13406065 0.86 HTR1A (0.52) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL9411050 0.85 HTR1A (0.51) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL8786888 0.85 HTR1A (0.57) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL9437724 0.82 HTR1A (0.55) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL14518824 0.82 HTR1A (0.49) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL9593875 0.80 HTR1A (0.50) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL30336213 0.80 CYP11B2 (0.53) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL15059383 0.80 CYP11B2 (0.53) HTR1AHTR2CGABRA5CYP11B2GABRA1
SCHEMBL9437707 0.79 HTR1A (0.57) HTR1AHTR2CGABRA5CYP11B2GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor ZENECA LIMITED 2002-04-04 US disclosed
EP-0971895-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR AstraZeneca AB (SE) 2000-01-19 EP disclosed
WO-1998043959-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR ZENECA LIMITED (GB) 1998-10-08 WO disclosed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 US disclosed
US-5321025-A Inhibitors of 5-lipoxygenase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-06-14 US disclosed
US-5268381-A Antidepressant or anxiolytic compound ADIR ET COMPAGNIE (FR) 1993-12-07 US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP 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-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor MMP1, HCAR1, MMP13 HTR1A 664/4885HTR2C 1019/4885GABRA5 3229/4885

“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.