SCHEMBL6164320

SCHEMBL6164320

CCCC(Br)C(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
SLC7A5 Q01650 1/20 0.45
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
FOLH1 Q04609 1/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
CASR P41180 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CREBBP Q92793 1/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL4936697 0.84 SLC6A2 (0.57) LOXL2CYP4F2CYP4A11TAS1R3TAS1R1
SCHEMBL19707680 0.82 BCL2 (0.42) LOXL2CYP4F2CYP4A11SLC7A5TAS1R3
SCHEMBL6332570 0.81 TSHR (0.52) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL19707516 0.80 SLC6A2 (0.58) TAS1R3TAS1R1SLC6A2SLC6A4SLC6A3
SCHEMBL2307365 0.80 TSHR (0.50) LOXL2CYP4F2CYP4A11SLC7A5TSHR
SCHEMBL634167 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL19707234 0.78 TAS1R3 (0.46) TAS1R3TAS1R1ALDH1A1
SCHEMBL4935875 0.77 SLC6A2 (0.53) SLC6A2SLC6A3RAB9APOLBNPC1
SCHEMBL2823791 0.77 SLC6A2 (0.53) SLC6A2SLC6A3RAB9APOLBNPC1
SCHEMBL34953 0.77 TSHR (0.70) LOXL2CYP4F2CYP4A11SLC7A5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379511-B1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II HOFFMANN LA ROCHE (CH) 2005-07-20 EP disclosed
EP-1379511-A1 DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2004-01-14 EP disclosed
US-6544985-B2 For therapy of acute and/or chronic neurological disorders such as psychosis, schizophrenia, Alzheimer's disease, cognitive disorders and memory deficits HOFFMAN-LA ROCHE INC. 2003-04-08 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 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-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 LOXL2 3737/4885CYP4F2 405/4885CYP4A11 201/4885

“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.