SCHEMBL4162181

SCHEMBL4162181

OC(c1ccccc1Br)C1c2ccccc2CCc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.39
HTR2A P28223 3/20 0.37
RET P07949 1/20 0.37
KDM1A O60341 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRCP P42785 1/20 0.33
TACR1 P25103 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL4165843 0.78 CETP (0.47) HTR2AKMT2ACHRM1CHRM3HTR2C
SCHEMBL4165348 0.77 LMNA (0.43) ACP3HTR2ARETLMNAKMT2A
SCHEMBL13801969 0.75 ACP3 (0.43) ACP3HTR2ARETPRCP
SCHEMBL4043081 0.74 SLC18A3 (0.41) ACP3HTR2ARETLMNAKMT2A
SCHEMBL4152403 0.72 TDP1 (0.45) HTR2AKMT2ASIGMAR1DRD2ADRA2B
SCHEMBL9518044 0.71 SLC18A3 (0.44) HTR2AKDM1ASLC18A3SIGMAR1HTR2C
SCHEMBL6745262 0.71 SLC18A3 (0.44) HTR2AKDM1ASLC18A3SIGMAR1HTR2C
SCHEMBL6744668 0.71 SLC18A3 (0.44) HTR2AKDM1ASLC18A3SIGMAR1HTR2C
SCHEMBL10754709 0.71 HTR2A (0.50) ACP3HTR2ARETPRCPTACR1
SCHEMBL4164969 0.70 CETP (0.43) DRD1DRD5

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 8 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
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 ACP3 990/4885HTR2A 574/4885RET 1151/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 ACP3 898/4885HTR2A 586/4885RET 960/4885

“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.