SCHEMBL4043081

SCHEMBL4043081

OC(c1cccc(Br)c1)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
HTR2A P28223 5/20 0.37
HTR2C P28335 4/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ACP3 P15309 1/20 0.37
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HTR2B P41595 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRNA7 P36544 1/20 0.35
RET P07949 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
SCHEMBL4165348 0.84 LMNA (0.43) SLC18A3SIGMAR1HTR2AACP3LMNA
SCHEMBL13801969 0.83 ACP3 (0.43) HTR2AACP3HTTCHRNA7RET
SCHEMBL4039398 0.81 GID4 (0.49) HTR2AMAPTKMT2A
SCHEMBL4155180 0.77 DRD1 (0.41) HTR2AMAPTKMT2A
SCHEMBL4164969 0.76 CETP (0.43) MAPT
SCHEMBL4162181 0.74 ACP3 (0.39) SLC18A3SIGMAR1HTR2AHTR2CACP3
SCHEMBL4170076 0.74 CETP (0.46) MAPT
SCHEMBL4141018 0.73 SLC18A3 (0.46) SLC18A3SIGMAR1IDO1TDO2HTR2A
SCHEMBL4528123 0.72 HTR2A (0.50) HTR2AKMT2A
SCHEMBL4157911 0.71 GID4 (0.48) HTR2A

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
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 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 (2 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 SLC18A3 1846/4885SIGMAR1 257/4885IDO1 3824/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 SLC18A3 1781/4885SIGMAR1 279/4885IDO1 3925/4885

“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.