SCHEMBL4037231

SCHEMBL4037231

CC(Cn1c(=O)[nH]c2cc(B3OC(C)(C)C(C)(C)O3)ccc21)N1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
CREBBP Q92793 1/20 0.33
BACE1 P56817 4/20 0.33
RORC P51449 1/20 0.33
B3GNT2 Q9NY97 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PLD1 Q13393 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
CSF1R P07333 1/20 0.31
P2RX7 Q99572 1/20 0.30
PARG Q86W56 1/20 0.30

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
SCHEMBL4046672 0.83 HTR7 (0.43) LMNAGAAHSD17B10P2RX7
SCHEMBL17042104 0.78 CYP1A2 (0.49) LMNATSHRPRMT5WDR77
SCHEMBL3098899 0.75 B3GNT2 (0.34) GAABACE1B3GNT2HSD17B10PRMT5
SCHEMBL3515019 0.73 IRAK4 (0.39) LMNACREBBP
SCHEMBL14250830 0.72 LMNA (0.45) LMNABACE1PRMT5WDR77
SCHEMBL18198763 0.71 CA1 (0.38) BACE1PRMT5WDR77CSF1R
SCHEMBL22191301 0.69 CYP1A2 (0.49) LMNAB3GNT2TSHRPRMT5WDR77
SCHEMBL28596019 0.68 HTR1A (0.47) BACE1PLD1
SCHEMBL21115763 0.67 HSD17B10 (0.43) LMNAGAATSHRHSD17B10
SCHEMBL5004813 0.67 BACE1 (0.33) LMNABACE1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026579-A1 PROTEASOME INHIBITORS AND THEIR USE IN TREATING PATHOGEN INFECTION AND CANCER CORNELL RESEARCH FOUNDATION, INC. (US) 2009-02-26 WO claimed
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 LMNA 2774/4885GAA 3821/4885CREBBP 414/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 LMNA 2846/4885GAA 3628/4885CREBBP 386/4885

“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.