SCHEMBL5237322

SCHEMBL5237322

CN1C(=O)CCN(Cc2cccc3ccccc23)C(=O)[C@@H]1Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CLPP Q16740 13/20 0.45
▸ CTNNB1 P35222 2/20 0.44
▸ TCF7 P36402 2/20 0.44
▸ BCL9 O00512 1/20 0.44
▸ TCF4 P15884 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ P2RX7 Q99572 1/20 0.40
▸ PEX14 O75381 1/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 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
SCHEMBL5237314 1.00 CLPP (0.45) CLPPCTNNB1TCF7BCL9TCF4
Hydrochloric Acid SCHEMBL7537492 0.84 CCR4 (0.46) CLPPCTNNB1TCF7BCL9TCF4
Hydrochloric Acid SCHEMBL7537498 0.84 CCR4 (0.46) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL5232695 0.81 CLPP (0.39) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL5229554 0.80 TACR2 (0.43) CLPPPEX14HDAC6MAPT
SCHEMBL5232940 0.80 TACR2 (0.43) CLPPPEX14HDAC6MAPT
SCHEMBL7536717 0.73 CCR4 (0.37) CLPPPEX14ALDH1A1GAAMAPT
SCHEMBL7536713 0.73 CCR4 (0.37) CLPPPEX14ALDH1A1GAAMAPT
SCHEMBL14319402 0.70 CLPP (0.57) CLPPCTNNB1TCF7BCL9TCF4
SCHEMBL13773637 0.69 CLPP (0.56) CLPPCTNNB1TCF7BCL9TCF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6452001-B2 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-09-17 — — US claimed
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — US claimed
EP-1296961-B1 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-02-14 — — EP disclosed
EP-1296961-A1 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-02 — — EP disclosed
US-6452001-B2 1,4-DIAZEPINE-2-ONE DERIVATIVES AS NEUROKININ ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-09-17 — — US disclosed
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 — — US disclosed
WO-2001090083-A1 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 — — WO 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-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation BDKRB2, NPSR1, BDKRB1 CLPP 4145/4885CTNNB1 3150/4885TCF7 3106/4885

“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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