SCHEMBL6388253

SCHEMBL6388253

O=C(/C=C/C(=O)ON1CCC(Cc2ccccc2Br)CC1)ON1CCC(Cc2ccccc2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
SLC6A4 P31645 6/20 0.38
HTR1A P08908 4/20 0.38
FAAH O00519 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MCHR1 Q99705 1/20 0.36
NR3C1 P04150 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CCR3 P51677 1/20 0.35

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
SCHEMBL29942450 0.73 ATM (0.53) ATMSLC6A4HTR1AALDH1A1TSHR
SCHEMBL17602837 0.71 TACR3 (0.51) ATMFAAHLMNASIGMAR1ALDH1A1
SCHEMBL4826474 0.71 LMNA (0.51) FAAHLMNAGAAALDH1A1CCR3
SCHEMBL15668032 0.71 TACR3 (0.51) ATMFAAHLMNASIGMAR1ALDH1A1
SCHEMBL18970534 0.71 ATM (0.47) ATMSLC6A4HTR1ASIGMAR1ALDH1A1
Fumaric Acid SCHEMBL6388246 0.70 HRH1 (0.49) SLC6A4
Fumaric Acid SCHEMBL6388259 0.70 HRH1 (0.49) SLC6A4
SCHEMBL9253235 0.70 CCR3 (0.43) LMNAGAAALDH1A1KDM4ECCR3
SCHEMBL16334656 0.69 ATM (0.50) ATMSLC6A4HTR1AALDH1A1KDM4E
SCHEMBL16334148 0.69 ATM (0.50) ATMSLC6A4HTR1AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1598068-A1 Antipsychotic heterocycle compounds Bristol-Myers Squibb Company (US) 2005-11-23 EP disclosed
EP-1242072-A4 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2004-02-04 EP disclosed
US-6476051-B2 FOR THERAPY OF PSYCHOSIS, ACUTE MANIA, MILD ANXIETY STATES, OR DEPRESSION IN COMBINATION WITH PSYCHOTIC EPISODES BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
EP-1242072-A1 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS Bristol-Myers Squibb Company (US) 2002-09-25 EP disclosed
US-20020072611-A1 Antipsychotic heterocycle compounds BRISTOL-MYERS SQUIBB COMPANY 2002-06-13 US disclosed
EP-1146871-A4 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2002-04-17 EP disclosed
EP-1146871-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2001-10-24 EP disclosed
WO-2001043740-A1 ANTIPSYCHOTIC HETEROCYCLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-21 WO disclosed
US-6225324-B1 POTENT INHIBITION OF 5-HT REUPTAKE; 1,3-DISUBSTITUTED PYRROLIDINE, 1,4-DISUBSTITUTED PIPERIDINE, OR 1,4-DISUBSTITUTED HEXAHYDROAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2001-05-01 US disclosed
WO-2000044376-A1 ANTIDEPRESSANT HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-03 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-20020072611-A1 Antipsychotic heterocycle compounds HTR2C, DRD2, HTR1A ATM 3986/4885SLC6A4 60/4885HTR1A 3/4885

“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.