SCHEMBL4159008

SCHEMBL4159008

CNc1ccccc1C=C1c2ccccc2CCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
CYP2D6 P10635 4/20 0.47
SLC6A2 P23975 4/20 0.47
CYP1A2 P05177 4/20 0.47
LMNA P02545 3/20 0.47
CYP2C19 P33261 3/20 0.47
RET P07949 3/20 0.47
TP53 P04637 3/20 0.47
RAB9A P51151 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

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
SCHEMBL4161961 0.80 CYP2C19 (0.76) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4162085 0.78 CYP3A4 (0.56) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4160618 0.77 MAPT (0.56) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4170930 0.74 NR3C2 (0.46) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4165324 0.74 CES1 (0.41) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4161069 0.74 LMNA (0.48) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4167936 0.74 HSD11B1 (0.49) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4164482 0.73 MAPT (0.56) LMNARAB9ANPC1HTTMAPT
SCHEMBL4157532 0.73 SLC6A2 (0.47) CYP3A4CYP2D6SLC6A2CYP1A2LMNA
SCHEMBL4165024 0.73 NR3C1 (0.51) CYP3A4CYP2D6SLC6A2CYP1A2LMNA

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
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
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 CYP3A4 385/4885CYP2D6 603/4885SLC6A2 1161/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 CYP3A4 381/4885CYP2D6 596/4885SLC6A2 1158/4885

“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.