SCHEMBL1440960

SCHEMBL1440960

CC1(C)NCCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.49
CACNA1H O95180 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACP1 P24666 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.41
IKBKB O14920 2/20 0.40
AKR1B1 P15121 1/20 0.40
TACR1 P25103 1/20 0.40
THRB P10828 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL15845345 0.81 DEGS1 (0.47) CACNA1BCACNA1HPOLB
SCHEMBL1441225 0.79 LMNA (0.46) LMNAMEN1KMT2AACP1ALDH1A1
SCHEMBL1441265 0.78 LMNA (0.46) LMNAMEN1KMT2AACP1ALDH1A1
SCHEMBL3541852 0.74 ACE (0.39) CACNA1BCACNA1HMEN1KMT2A
SCHEMBL3553015 0.74 POLB (0.40) CACNA1BCACNA1HMEN1KMT2APOLB
SCHEMBL1441236 0.74 LMNA (0.52) LMNAACP1ALDH1A1MAPTTACR1
SCHEMBL1441276 0.71 SMN1; SMN2 (0.61) LMNAACP1ALDH1A1MAPTAKR1B1
SCHEMBL3541459 0.71 CACNA1B (0.36) CACNA1BCACNA1HKMT2AALDH1A1KDM4E
SCHEMBL15850795 0.70 NAMPT (0.48) CACNA1BMEN1KMT2APOLB
SCHEMBL3547224 0.70 HSD17B10 (0.38) CACNA1BLMNAALDH1A1THRBKDM4E

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 6 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
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 CACNA1B 1/4885CACNA1H 15/4885LMNA 1500/4885

“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.