SCHEMBL4036595

SCHEMBL4036595

Clc1ccc2c(c1)CCc1ccccc1C2=CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
SRD5A1 P18405 3/20 0.41
SRD5A2 P31213 2/20 0.41
CYP19A1 P11511 6/20 0.41
CYP11B1 P15538 6/20 0.41
CYP11B2 P19099 6/20 0.41
MAOB P27338 1/20 0.41
HTR2B P41595 4/20 0.40
PTAFR P25105 1/20 0.40
LMNA P02545 3/20 0.38
ADRB2 P07550 3/20 0.38
CHRM2 P08172 3/20 0.38
CHRM4 P08173 3/20 0.38
HTR1A P08908 3/20 0.38
CHRM5 P08912 3/20 0.38
ADRA2A P08913 3/20 0.38
CHRM1 P11229 3/20 0.38
DRD2 P14416 3/20 0.38
ADRA2B P18089 3/20 0.38
ADRA2C P18825 3/20 0.38

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
SCHEMBL4161951 1.00 HTT (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4036590 1.00 HTT (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4041916 0.91 HTT (0.50) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4156260 0.90 MAOB (0.41) HTTMAOBHTR2BLMNAADRB2
SCHEMBL4156261 0.90 MAOB (0.41) HTTMAOBHTR2BLMNAADRB2
SCHEMBL4068688 0.84 SRD5A1 (0.55) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4040169 0.84 CES1 (0.50) HTTCYP19A1CYP11B1CYP11B2MAOB
SCHEMBL4047498 0.83 MIF (0.46) SRD5A1SRD5A2MAOBNTRK1RAB9A
SCHEMBL22147102 0.83 MAOB (0.44) HTTSRD5A1SRD5A2CYP19A1CYP11B1
SCHEMBL4047500 0.83 MIF (0.46) SRD5A1SRD5A2MAOBNTRK1RAB9A

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
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-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 HTT 3630/4885SRD5A1 35/4885SRD5A2 38/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 HTT 3508/4885SRD5A1 41/4885SRD5A2 40/4885

“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.