SCHEMBL6167735

SCHEMBL6167735

CC(=O)N1CCc2ccc(S(=O)(=O)N3CCc4cc(Br)ccc43)cc2CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TSHR P16473 2/20 0.49
MAPT P10636 4/20 0.48
RORC P51449 1/20 0.47
GAA P10253 1/20 0.47
HTR6 P50406 1/20 0.46
IDO1 P14902 1/20 0.46
MAPK1 P28482 2/20 0.46
USP2 O75604 1/20 0.45
PKM P14618 1/20 0.45
TP53 P04637 4/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6168062 0.85 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TSHRUSP2PKM
SCHEMBL6168586 0.82 HTR6 (0.56) TSHRHTR6
SCHEMBL29295623 0.81 NOTUM (0.53) ALDH1A1MAPT
SCHEMBL6330427 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRGAAUSP2
SCHEMBL26005660 0.78 MAPT (0.63) MAPTHTR6TP53POLBLMNA
SCHEMBL6139327 0.76 HTR6 (0.49) ALDH1A1SMN1; SMN2TSHRMAPTHTR6
SCHEMBL2074679 0.75 DRD3 (0.62) MAPTRORCHTR6
SCHEMBL4035842 0.75 PNMT (0.49) ALDH1A1SMN1; SMN2RORCGAAMAPK1
SCHEMBL6349185 0.74 MAPT (0.49) SMN1; SMN2MAPTHTR6USP2PKM
SCHEMBL4040738 0.73 NOTUM (0.47) ALDH1A1SMN1; SMN2GAAMAPK1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392316-B1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM PLC (GB) 2005-04-20 EP disclosed
US-20040192671-A1 Benzo[d]azepine derivatives as 5-ht6 receptor anatagonists SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-30 US disclosed
EP-1392316-A1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002089811-A1 BENZO[D]AZEPINE DERIVATIVES AS 5-HT6 RECEPTOR ANTAGONISTS. SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO 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-20040192671-A1 Benzo[d]azepine derivatives as 5-ht6 receptor anatagonists HTR6, HTR5A, HTR1A ALDH1A1 1942/4885SMN1; SMN2 2084/4885TSHR 319/4885

“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.