SCHEMBL4160758

SCHEMBL4160758

CN(C)c1cccc(C=C2c3ccccc3CCc3ccccc32)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.54
NR3C1 P04150 1/20 0.54
PGR P06401 1/20 0.54
NR3C2 P08235 1/20 0.54
GSK3B P49841 1/20 0.45
SLC6A2 P23975 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP1A2 P05177 3/20 0.44
MTOR P42345 3/20 0.44
ADRB2 P07550 2/20 0.44
RET P07949 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
ADRB1 P08588 2/20 0.44
HTR1A P08908 2/20 0.44
CHRM5 P08912 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD2 P14416 2/20 0.44
ADRA2B P18089 2/20 0.44

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
SCHEMBL4161987 0.84 AR (0.60) ARNR3C1PGRNR3C2SLC6A2
SCHEMBL4165013 0.83 MAOB (0.56) SLC6A2CYP2D6CYP1A2MTORADRB2
SCHEMBL4155418 0.80 AR (0.58) ARNR3C1PGRNR3C2SLC6A2
SCHEMBL14092267 0.78 NR3C1 (0.79) ARNR3C1PGRNR3C2HTR1A
SCHEMBL4163515 0.76 AR (0.55) ARNR3C1PGRNR3C2SLC6A2
SCHEMBL4042552 0.76 AR (0.55) ARNR3C1PGRNR3C2MAPT
SCHEMBL4151132 0.76 AR (0.58) ARNR3C1PGRNR3C2MAPT
SCHEMBL4037187 0.76 MIF (0.67) ARNR3C1PGRNR3C2MAPT
SCHEMBL4161563 0.76 AR (0.58) ARNR3C1PGRNR3C2SLC6A2
SCHEMBL14092259 0.76 NR3C1 (0.52) ARNR3C1PGRNR3C2HTR2B

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 7 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

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 AR 48/4885NR3C1 3/4885PGR 54/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 AR 45/4885NR3C1 3/4885PGR 50/4885

“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.