SCHEMBL10200705

SCHEMBL10200705

CC(C)(C)OC(=O)NCc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.49
CACNA1B Q00975 1/20 0.49
CACNA1C Q13936 1/20 0.49
TACR1 P25103 5/20 0.43
MTOR P42345 2/20 0.43
MLYCD O95822 1/20 0.42
KDM4A O75164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRM2 Q14416 1/20 0.39
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
HDAC1 Q13547 2/20 0.38
NAMPT P43490 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL13887001 0.90 CACNA1H (0.54) CACNA1HCACNA1BCACNA1CTACR1MTOR
SCHEMBL27732549 0.87 MTOR (0.46) TACR1MTORMLYCDP2RX1TMPRSS4
SCHEMBL21448062 0.87 KDM4A (0.46) KDM4AL3MBTL1GRM2HDAC1NAMPT
SCHEMBL22702229 0.87 KDM4A (0.46) KDM4AL3MBTL1GRM2HDAC1NAMPT
SCHEMBL13818148 0.85 CACNA1H (0.50) CACNA1HCACNA1BCACNA1CTACR1MTOR
SCHEMBL24971038 0.84 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CTACR1MTOR
SCHEMBL31143037 0.84 CACNA1H (0.52) CACNA1HCACNA1BCACNA1CTACR1MTOR
SCHEMBL14169755 0.84 CACNA1H (0.49) CACNA1HCACNA1BCACNA1CTACR1MTOR
SCHEMBL27377175 0.83 GRM2 (0.45) CACNA1HCACNA1BCACNA1CKDM4AL3MBTL1
SCHEMBL545480 0.83 CACNA1H (0.48) CACNA1HCACNA1BCACNA1CTACR1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
US-8110687-B2 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-02-07 US disclosed
CN-101365682-A Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARM INC (US) 2009-02-11 CN disclosed
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 US disclosed
WO-2007067444-A1 BICYCLIC COMPOUNDS WITH KINASE INHIBITORY ACTIVITY MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-14 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 CACNA1H 4399/4885CACNA1B 3618/4885CACNA1C 3634/4885

“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.