SCHEMBL5850381

SCHEMBL5850381

CC(C)CCC(=O)C(NC(=O)c1ccccc1)N1CCCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
PAX8 Q06710 1/20 0.46
KLF5 Q13887 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CARM1 Q86X55 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
RXRA P19793 2/20 0.44
RXRB P28702 2/20 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
SCHEMBL5850038 0.92 TAOK1 (0.49) POLBMEN1KMT2AACE
SCHEMBL5848775 0.91 GPR132 (0.46) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E
SCHEMBL5848319 0.86 HRH3 (0.43) HRH3NPC1RAB9APOLBGFER
SCHEMBL5848727 0.85 POLB (0.47) POLBL3MBTL1SMN1; SMN2KDM4EHPGD
SCHEMBL5848299 0.84 CTSK (0.48)
SCHEMBL5850462 0.81 HCN1 (0.43) NPC1L3MBTL1SMN1; SMN2GAALMNA
SCHEMBL5850375 0.78 CARM1 (0.48) HRH3NPC1RAB9APOLBGFER
SCHEMBL5848552 0.78 BACE1 (0.41) RAB9APOLBL3MBTL1CARM1SMN1; SMN2
SCHEMBL5850500 0.77 TAOK1 (0.46) POLBMAPTTP53MEN1KMT2A
SCHEMBL5848748 0.77 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2KDM4E

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-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 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
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 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 HRH3 930/4885NPC1 936/4885RAB9A 2919/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS HRH3 1035/4885NPC1 1222/4885RAB9A 2712/4885

“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.