SCHEMBL1441276

SCHEMBL1441276

O=C1CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 7/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 6/20 0.46
ACP1 P24666 1/20 0.45
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TACR1 P25103 1/20 0.41
AKR1B1 P15121 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1441236 0.86 LMNA (0.52) SMN1; SMN2ALDH1A1POLBLMNAACP1
SCHEMBL1442784 0.79 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1POLBLMNAMAPT
SCHEMBL6874112 0.77 LMNA (0.47) SMN1; SMN2ALDH1A1POLBLMNAACP1
SCHEMBL13102889 0.77 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1POLBAKR1B1
SCHEMBL1441225 0.76 LMNA (0.46) ALDH1A1POLBLMNAACP1MAPT
SCHEMBL8218118 0.74 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1POLBLMNAACP1
SCHEMBL1441582 0.73 L3MBTL1 (0.43) SMN1; SMN2POLBTRPV4L3MBTL1
SCHEMBL7282020 0.73 CA1 (0.58) SMN1; SMN2ALDH1A1POLBLMNAMAPT
SCHEMBL1440960 0.71 CACNA1B (0.49) ALDH1A1POLBLMNAACP1MAPT
SCHEMBL19860072 0.71 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBLMNA

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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US claimed
EP-2473488-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY Zalicus Pharmaceuticals Ltd. (CA) 2012-07-11 EP claimed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 WO claimed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
US-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2012-08-30 US disclosed
EP-2473488-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY Zalicus Pharmaceuticals Ltd. (CA) 2012-07-11 EP disclosed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 WO disclosed
WO-2011026241-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-10 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 (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-20120220603-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF PAIN AND EPILEPSY CACNA1B, SCN1A, CACNA1I SMN1; SMN2 314/4885ALDH1A1 1017/4885POLB 4358/4885

“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.