SCHEMBL5848319

SCHEMBL5848319

CC(C)CCC(=O)C(NC(=O)CCC1CCCC1)N1CCCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.43
CARM1 Q86X55 1/20 0.42
CYP2D6 P10635 3/20 0.42
HRH1 P35367 1/20 0.40
CHRM4 P08173 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38
ACACB O00763 3/20 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
SCHEMBL5850381 0.86 HRH3 (0.47) HRH3CARM1NPC1RAB9APOLB
SCHEMBL5848159 0.85 MEN1 (0.46) NPC1RAB9AL3MBTL1
SCHEMBL5848313 0.82 CARM1 (0.44) HRH3CARM1CYP2D6HRH1ACACB
SCHEMBL5848299 0.81 CTSK (0.48)
SCHEMBL5850038 0.79 TAOK1 (0.49) CHRM4POLB
SCHEMBL5848775 0.79 GPR132 (0.46) NPC1RAB9AL3MBTL1
SCHEMBL5848762 0.76 BRS3 (0.44)
SCHEMBL5850462 0.74 HCN1 (0.43) NPC1L3MBTL1
SCHEMBL5849149 0.72 CTSK (0.48)
SCHEMBL5849892 0.71 POLB (0.42) CYP2D6CHRM4NPC1RAB9APOLB

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 930/4885CARM1 2020/4885CYP2D6 1373/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS HRH3 1035/4885CARM1 2529/4885CYP2D6 1535/4885

“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.