SCHEMBL5849232

SCHEMBL5849232

CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)CN1CCN(Cc2ccccc2)c2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRS3 P32247 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
MAPK1 P28482 2/20 0.42
CAPN1 P07384 1/20 0.41
HTR1A P08908 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7474606 0.86 BRS3 (0.41) ALDH1A1NPSR1BRS3MEN1KMT2A
SCHEMBL5848760 0.86 BRS3 (0.41) ALDH1A1NPSR1BRS3MEN1KMT2A
SCHEMBL5848330 0.85 CAPN1 (0.43) BRS3CACNA1GCACNA1HCACNA1ICAPN1
SCHEMBL5848757 0.82 ALDH1A1 (0.48) PSMB5SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5848122 0.80 CTSK (0.51) CAPN1
SCHEMBL5850300 0.79 ALDH1A1 (0.48) PSMB5SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL5849215 0.78 CTSK (0.46) ALDH1A1BRS3MEN1KMT2ACACNA1G
SCHEMBL5849150 0.76 ACACB (0.46) PSMB5
SCHEMBL5848350 0.73 CTSK (0.51) PSMB5CAPN1
SCHEMBL5848673 0.73 CTSK (0.38) ALDH1A1KDM4ENPSR1

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-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US claimed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US claimed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US claimed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed
US-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US 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 (2 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 PSMB5 316/4885SMN1; SMN2 35/4885CYP2C19 1913/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS PSMB5 279/4885SMN1; SMN2 31/4885CYP2C19 2345/4885

“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.