SCHEMBL12656278

SCHEMBL12656278

BN1CCC2(CC1)NCC(=O)N2Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KCNH2 Q12809 1/20 0.37
LTC4S Q16873 1/20 0.37
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
Simufilam SCHEMBL12627054 0.87 MC4R (0.46) GSK3AGSK3BKMT2AMEN1ALDH1A1
Simufilam SCHEMBL22361808 0.86 MC4R (0.45) GSK3AGSK3BKMT2AMEN1ALDH1A1
Simufilam SCHEMBL22361802 0.86 MC4R (0.45) GSK3AGSK3BKMT2AMEN1ALDH1A1
Simufilam SCHEMBL22361805 0.84 MC4R (0.44) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL15423954 0.84 DRD4 (0.46) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL12627083 0.82 KMT2A (0.48) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL24106950 0.81 OPRD1 (0.46) GSK3AGSK3BALDH1A1KDM4ELMNA
SCHEMBL12661184 0.80 OPRL1 (0.47) ALDH1A1KDM4ELMNAHTTNPSR1
SCHEMBL24106959 0.80 RIPK1 (0.39) GSK3AGSK3BKMT2AMEN1ALDH1A1
SCHEMBL15423957 0.79 SMN1; SMN2 (0.43) GSK3AGSK3BALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 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-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 GSK3A 3191/4885GSK3B 3552/4885KMT2A 3222/4885

“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.