SCHEMBL16427933

SCHEMBL16427933

CCCCCCCCN(CCCCCCCC)C(=O)[C@H]1CC[C@H](C2(N(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.36
▸ HSD17B3 P37058 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL16428073 1.00 BCHE (0.36) BCHEHSD17B3CNR2TACR1
SCHEMBL15251792 0.95 BCHE (0.35) BCHEHSD17B3CNR2TACR1
SCHEMBL15251762 0.95 BCHE (0.35) BCHEHSD17B3CNR2TACR1
SCHEMBL15251761 0.95 BCHE (0.35) BCHEHSD17B3CNR2TACR1
SCHEMBL15251793 0.95 BCHE (0.35) BCHEHSD17B3CNR2TACR1
SCHEMBL15256239 0.82 BCHE (0.39) BCHEHSD17B3CNR2TACR1
SCHEMBL15251978 0.82 BCHE (0.39) BCHEHSD17B3CNR2TACR1
SCHEMBL15251788 0.82 BCHE (0.39) BCHEHSD17B3CNR2TACR1
SCHEMBL15251789 0.82 BCHE (0.39) BCHEHSD17B3CNR2TACR1
SCHEMBL15251859 0.82 SMN1; SMN2 (0.34) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9259491-B2 Class of diazepine derivative chelating agents and complexes with paramagnetic metals thereof as MRI contrast agents BRACCO IMAGING S.P.A. (IT) 2016-02-16 — — US disclosed
US-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BRACCO IMAGING S.P.A. (IT) 2015-02-05 — — 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 (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-20150037261-A1 New Class Of Diazepine Derivative Chelating Agents And Complexes With Paramagnetic Metals Thereof As MRI Contrast Agents BAZ2A, BAZ2B, BAZ1A BCHE 2645/4885HSD17B3 4524/4885CNR2 1000/4885

“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.

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