SCHEMBL3837814

SCHEMBL3837814

BrCCCCC(Br)c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
SIRT2 Q8IXJ6 2/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PYCR1 P32322 1/20 0.33
GSK3B P49841 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALOX5 P09917 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3841684 0.94 HTR2A (0.36) HTR2ASIRT2SLC6A2SLC6A4SLC6A3
SCHEMBL5795845 0.79 CYP1A2 (0.38) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL28795633 0.75 CYP2A6 (0.42) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL2710461 0.74 HTR2A (0.40) HTR2A
SCHEMBL6632793 0.74 HTR2A (0.38) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL6173982 0.74 PYCR1 (0.39) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL22042217 0.70 HRH1 (0.44) HTR2A
SCHEMBL16147132 0.69 HTR2A (0.40) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL15486101 0.69 HTR2A (0.40) HTR2ASLC6A2SLC6A4SLC6A3PYCR1
SCHEMBL3645610 0.69 HTR2A (0.40) HTR2ASLC6A2SLC6A4SLC6A3CYP2A6

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-1432700-B1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-11-04 EP disclosed
US-7078420-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-18 US disclosed
US-6977267-B2 Spiro-hydantoin compounds useful as anti-inflammatory agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-20 US disclosed
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2005-01-06 US disclosed
US-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-23 US disclosed
EP-1432700-A4 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-22 EP disclosed
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents DHAR T G MURALI (US) 2004-12-09 US disclosed
EP-1432700-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-06-30 EP disclosed
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents CEREP SA (FR) 2004-01-15 US disclosed
WO-2003029245-A1 SPIRO-HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-10 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 (4 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-20040259897-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HTR2A 692/4885SIRT2 574/4885SLC6A2 4090/4885
US-20040248920-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HTR2A 692/4885SIRT2 574/4885SLC6A2 4090/4885
US-20040009998-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, SELL HTR2A 695/4885SIRT2 573/4885SLC6A2 4141/4885
US-20050004153-A1 Spiro-hydantoin compounds useful as anti-inflammatory agents ICAM1, VCAM1, ITGA4 HTR2A 930/4885SIRT2 1194/4885SLC6A2 3937/4885

“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.