SCHEMBL1441503

SCHEMBL1441503

CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
STS P08842 1/20 0.49
ALDH1A1 P00352 8/20 0.49
LMNA P02545 7/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TACR1 P25103 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CETP P11597 1/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6863335 0.83 STS (0.56) MAPTSTSKDM4ETACR1CETP
SCHEMBL22315264 0.81 ALDH1A1 (0.62) MAPTALDH1A1LMNAKDM4ETSHR
SCHEMBL16577075 0.81 MEN1 (0.62) MAPTALDH1A1LMNAKDM4ECHRM2
SCHEMBL6863428 0.80 TACR1 (0.48) MAPTSTSALDH1A1LMNATACR1
SCHEMBL1444654 0.79 STS (0.52) MAPTSTSKDM4ETACR1CETP
SCHEMBL211276 0.77 KCNT1 (0.56) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL8913316 0.77 ALDH1A1 (0.56) MAPTALDH1A1LMNAKDM4ECETP
SCHEMBL31254088 0.77 ALDH1A1 (0.50) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL31254120 0.77 ALDH1A1 (0.50) MAPTALDH1A1LMNAPOLBKDM4E
SCHEMBL1574832 0.76 MAPT (0.58) MAPTSTSTACR1RXFP1

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-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

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 MAPT 3338/4885STS 1972/4885ALDH1A1 1017/4885

“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.