SCHEMBL5849150

SCHEMBL5849150

CC(C)CC(NC(=O)C1CCCCC1)C(=O)CN1CCCc2cc(OCc3ccccc3)ccc2C1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 9/20 0.46
HRH3 Q9Y5N1 7/20 0.46
CARM1 Q86X55 1/20 0.46
PSMB5 P28074 2/20 0.44
CACNA1B Q00975 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL5848313 0.88 CARM1 (0.44) ACACBHRH3CARM1CACNA1BCYP2D6
SCHEMBL5850375 0.87 CARM1 (0.48) HRH3CARM1
SCHEMBL5848075 0.86 CARM1 (0.41) HRH3CARM1CACNA1B
SCHEMBL5849976 0.86 CARM1 (0.41) HRH3CARM1CACNA1B
SCHEMBL5848751 0.86 CARM1 (0.47) HRH3CARM1
SCHEMBL5848757 0.85 ALDH1A1 (0.48) CARM1PSMB5
SCHEMBL5849089 0.84 CARM1 (0.46) HRH3CARM1
SCHEMBL5848294 0.84 CTSS (0.51) CARM1
SCHEMBL5848753 0.84 CARM1 (0.45) HRH3CARM1
SCHEMBL6865248 0.82 HRH3 (0.53) HRH3CARM1

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 ACACB 1175/4885HRH3 930/4885CARM1 2020/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS ACACB 1036/4885HRH3 1035/4885CARM1 2529/4885

“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.