SCHEMBL1441265

SCHEMBL1441265

CC1(C)CN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(=O)CN1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
ALDH1A1 P00352 2/20 0.44
ACP1 P24666 1/20 0.42
TACR1 P25103 1/20 0.42
AKR1B1 P15121 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.40
IKBKB O14920 2/20 0.40
THRB P10828 1/20 0.38
CMKLR1 Q99788 1/20 0.38
POLB P06746 1/20 0.38
GPR35 Q9HC97 1/20 0.38
P2RX1 P51575 1/20 0.38

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
SCHEMBL1440960 0.78 CACNA1B (0.49) LMNAALDH1A1ACP1TACR1AKR1B1
SCHEMBL1441225 0.78 LMNA (0.46) LMNAALDH1A1ACP1TACR1AKR1B1
SCHEMBL1441236 0.68 LMNA (0.52) LMNAALDH1A1ACP1TACR1MAPT
SCHEMBL14263848 0.67 ALDH1A1 (0.65) LMNAALDH1A1ACP1TACR1KMT2A
SCHEMBL1441276 0.66 SMN1; SMN2 (0.61) LMNAALDH1A1ACP1TACR1AKR1B1
SCHEMBL8218118 0.64 ALDH1A1 (0.51) LMNAALDH1A1ACP1TACR1MAPT
SCHEMBL16628091 0.64 LMNA (0.71) LMNAALDH1A1ACP1TACR1MEN1
SCHEMBL263685 0.64 LMNA (0.65) LMNAALDH1A1ACP1TACR1MAPT
SCHEMBL10750113 0.64 LMNA (0.65) LMNAALDH1A1ACP1TACR1MAPT
SCHEMBL11738143 0.63 LMNA (0.59) LMNAALDH1A1ACP1TACR1MAPT

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 LMNA 1500/4885ALDH1A1 1017/4885ACP1 2191/4885

“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.