SCHEMBL6866285

SCHEMBL6866285

CC(C)CC(N)C(=O)CN1CCCc2cc(O)ccc2C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.42
DRD5 P21918 4/20 0.42
ESR2 Q92731 5/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ELANE P08246 1/20 0.39
ESR1 P03372 4/20 0.39
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CA9 Q16790 1/20 0.38
HRH3 Q9Y5N1 1/20 0.36

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
Hydrochloric Acid SCHEMBL5848992 0.99 DRD1 (0.41) DRD1DRD5ESR2OPRM1OPRD1
SCHEMBL6866937 0.86 ELANE (0.48) PRMT5WDR77ELANEDRD2DRD3
Hydrochloric Acid SCHEMBL5849137 0.85 ELANE (0.50) PRMT5WDR77ELANEDRD2DRD3
SCHEMBL6865248 0.82 HRH3 (0.53) OPRM1OPRD1OPRK1HRH3
Hydrochloric Acid SCHEMBL5848750 0.81 HRH3 (0.52) OPRM1OPRD1OPRK1HRH3
SCHEMBL5849997 0.79 ESR2 (0.46) DRD1DRD5ESR2SLC6A5HRH3
SCHEMBL5849141 0.73 CTSK (0.50)
SCHEMBL6373295 0.72 CTSB (0.40)
SCHEMBL7798156 0.69 ITGB3 (0.54) DRD1DRD5ESR2ESR1DRD2
SCHEMBL14409233 0.68 DRD1 (0.56) DRD1DRD5ESR2PRMT5WDR77

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 3 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

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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 DRD1 3134/4885DRD5 4450/4885ESR2 1814/4885

“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.