SCHEMBL4155446

SCHEMBL4155446

Fc1cccc2c1CCc1ccccc1/C2=C\Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.38
HTR7 P34969 3/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SRD5A1 P18405 1/20 0.37
SLC6A2 P23975 4/20 0.36
CYP3A4 P08684 4/20 0.36
LMNA P02545 4/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
CYP1A2 P05177 3/20 0.36
RET P07949 3/20 0.36
ADRB2 P07550 2/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
ADRB1 P08588 2/20 0.36
CHRM5 P08912 2/20 0.36
ADRA2A P08913 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL4155450 1.00 HTR1A (0.38) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL4161778 0.90 CYP19A1 (0.43) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL4040169 0.82 CES1 (0.50) HTR1ACYP19A1CYP11B1CYP11B2SLC6A2
SCHEMBL28081477 0.81 DRD2 (0.46) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL4046127 0.81 BCHE (0.38) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL4046129 0.81 BCHE (0.38) HTR1AHTR7CYP19A1CYP11B1CYP11B2
SCHEMBL4158002 0.75 MAPK14 (0.44) HTR1ACYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL4158001 0.75 MAPK14 (0.44) HTR1ACYP19A1CYP11B1CYP11B2SRD5A1
SCHEMBL4153615 0.75 PARP1 (0.39) HTR1ASRD5A1SLC6A2CYP3A4LMNA
SCHEMBL4153618 0.75 PARP1 (0.39) HTR1ASRD5A1SLC6A2CYP3A4LMNA

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 3 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-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 HTR1A 429/4885HTR7 547/4885CYP19A1 44/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HTR1A 416/4885HTR7 502/4885CYP19A1 44/4885

“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.