SCHEMBL4046129

SCHEMBL4046129

Clc1cccc2c1CCc1ccccc1C2=CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
HTR1A P08908 4/20 0.38
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
HTR7 P34969 2/20 0.38
ADRA2A P08913 3/20 0.37
CYP2D6 P10635 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1A P35348 3/20 0.37
ADRA1B P35368 1/20 0.37
PNMT P11086 1/20 0.37
SLC6A2 P23975 4/20 0.36
CYP3A4 P08684 4/20 0.36
CYP1A2 P05177 3/20 0.36
RET P07949 3/20 0.36
LMNA P02545 3/20 0.36
ADRB2 P07550 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
SCHEMBL4046127 1.00 BCHE (0.38) BCHEHTR1ACYP19A1CYP11B1CYP11B2
SCHEMBL4164326 0.84 NOTUM (0.38) BCHEHTR1AADRA2ACYP2D6ADRA2B
SCHEMBL4164324 0.84 NOTUM (0.38) BCHEHTR1AADRA2ACYP2D6ADRA2B
SCHEMBL4040169 0.82 CES1 (0.50) HTR1ACYP19A1CYP11B1CYP11B2ADRA2A
SCHEMBL27913767 0.81 BCHE (0.45) BCHEHTR1ACYP19A1CYP11B1CYP11B2
SCHEMBL4155450 0.81 HTR1A (0.38) HTR1ACYP19A1CYP11B1CYP11B2HTR7
SCHEMBL4155446 0.81 HTR1A (0.38) HTR1ACYP19A1CYP11B1CYP11B2HTR7
SCHEMBL4157478 0.77 MIF (0.50) CYP19A1CYP11B1CYP11B2RETMEN1
SCHEMBL4157481 0.77 MIF (0.50) CYP19A1CYP11B1CYP11B2RETMEN1
SCHEMBL4156261 0.75 MAOB (0.41) HTR1AADRA2ACYP2D6ADRA2BADRA2C

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 6 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
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-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 EP 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 BCHE 3728/4885HTR1A 429/4885CYP19A1 44/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 BCHE 3694/4885HTR1A 416/4885CYP19A1 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.