SCHEMBL13801883

SCHEMBL13801883

CC(C)(C)c1ccc2c(c1)[nH]c(=O)n2CCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
HTR7 P34969 2/20 0.46
ABCB11 O95342 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
GRIN1 Q05586 10/20 0.45
GRIN2B Q13224 10/20 0.45
P2RX7 Q99572 1/20 0.44
ADRA1D P25100 1/20 0.43

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
SCHEMBL13801881 0.99 LMNA (0.52) LMNAHTR7ABCB11HTR1AADRA2A
SCHEMBL13801880 0.90 HTR7 (0.47) LMNAHTR7ABCB11HTR1AADRA2A
SCHEMBL13801879 0.84 SIGMAR1 (0.49) LMNAHTR7HTR1AADRA2AADORA3
SCHEMBL8352432 0.83 LMNA (0.53) LMNAHTR7GRIN1GRIN2BP2RX7
SCHEMBL8350269 0.82 LMNA (0.55) LMNAHTR7ADRA2AGRIN1GRIN2B
SCHEMBL2321983 0.80 LMNA (0.53) LMNAHTR7ABCB11HTR1AADRA2A
SCHEMBL4517124 0.80 LMNA (0.53) LMNAHTR7ABCB11HTR1AADRA2A
SCHEMBL4042957 0.76 LMNA (0.79) LMNAHTR7ABCB11HTR1AADRA2A
SCHEMBL13801870 0.76 B3GNT2 (0.51) LMNAGRIN1GRIN2B
Hydrochloric Acid SCHEMBL9725458 0.75 LMNA (0.82) LMNAHTR7ABCB11HTR1AADRA2A

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 LMNA 2774/4885HTR7 547/4885ABCB11 233/4885

“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.