SCHEMBL4040169

SCHEMBL4040169

BrC=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.50
SLC6A2 P23975 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1A2 P05177 3/20 0.47
RET P07949 3/20 0.47
LMNA P02545 3/20 0.47
CYP2D6 P10635 3/20 0.47
ADRB2 P07550 2/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
ADRB1 P08588 2/20 0.47
HTR1A P08908 2/20 0.47
CHRM5 P08912 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD2 P14416 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
CHRM3 P20309 2/20 0.47
DRD1 P21728 2/20 0.47

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
SCHEMBL13963791 0.86 MAOA (0.50) CES1SLC6A2CYP3A4LMNACYP2D6
SCHEMBL4158002 0.84 MAPK14 (0.44) SLC6A2CYP1A2RETCYP2D6ADRB2
SCHEMBL4036595 0.84 HTT (0.44) SLC6A2CYP3A4CYP1A2RETLMNA
SCHEMBL4047498 0.84 MIF (0.46) NTRK1RAB9AMAOBMAOA
SCHEMBL4156261 0.84 MAOB (0.41) CES1SLC6A2CYP3A4CYP1A2RET
SCHEMBL4158001 0.84 MAPK14 (0.44) SLC6A2CYP1A2RETCYP2D6ADRB2
SCHEMBL4156260 0.84 MAOB (0.41) CES1SLC6A2CYP3A4CYP1A2RET
SCHEMBL4153618 0.84 PARP1 (0.39) CES1SLC6A2CYP3A4CYP1A2RET
SCHEMBL4036590 0.84 HTT (0.44) SLC6A2CYP3A4CYP1A2RETLMNA
SCHEMBL4047500 0.84 MIF (0.46) NTRK1RAB9AMAOBMAOA

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 12 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
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP 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-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
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 CES1 439/4885SLC6A2 1161/4885CYP3A4 385/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CES1 435/4885SLC6A2 1158/4885CYP3A4 381/4885

“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.