SCHEMBL2986350

SCHEMBL2986350

CC1(C(N)=O)CCCC2(C)c3cc(N)ccc3CCC12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
CYP3A4 P08684 1/20 0.65
NR1H2 P55055 11/20 0.59
NR1H3 Q13133 11/20 0.59
POLA1 P09884 4/20 0.58
PDE4D Q08499 1/20 0.53
SOD1 P00441 1/20 0.51
RXRA P19793 1/20 0.51
CCNE1 P24864 1/20 0.51
CDK2 P24941 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
KARS1 Q15046 1/20 0.51

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
SCHEMBL2991215 0.91 LMNA (0.73) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL24591989 0.90 NR1H2 (0.62) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL20561119 0.90 POLA1 (0.71) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL21569919 0.90 NR1H2 (0.62) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL21552174 0.88 NR1H2 (0.77) NR1H2NR1H3POLA1SOD1
SCHEMBL2993726 0.88 NR1H2 (0.76) LMNACYP3A4NR1H2NR1H3SOD1
SCHEMBL2994378 0.88 LMNA (0.65) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL24591878 0.88 LMNA (0.65) LMNACYP3A4NR1H2NR1H3POLA1
SCHEMBL20561234 0.88 NR1H2 (0.76) LMNACYP3A4NR1H2NR1H3SOD1
SCHEMBL24591823 0.87 SOD1 (0.69) CYP3A4NR1H2NR1H3POLA1SOD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776558-B2 Human G protein-coupled receptor and modulators thereof for the treatment of cell death-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-7776558-B2 Human G protein-coupled receptor and modulators thereof for the treatment of cell death-related disorders ARENA PHARMACEUTICALS, INC. (US) 2010-08-17 US disclosed
US-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders ARENA PHARMACEUTICALS, INC. (US) 2008-05-29 US disclosed
US-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders ARENA PHARMACEUTICALS, INC. (US) 2008-05-29 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-20080125491-A1 Human G Protein-Coupled Receptor and Modulators Thereof for the Treatment of Cell Death-Related Disorders GPR65, GPR3, GPR52 LMNA 1175/4885CYP3A4 4826/4885NR1H2 1032/4885

“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.