SCHEMBL7536717

SCHEMBL7536717

CN(C)CCN=C1CCN(Cc2cccc3ccccc23)C(=O)C(Cc2ccc(Cl)c(Cl)c2)N1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR4 P51679 5/20 0.37
▸ SSTR1 P30872 1/20 0.35
▸ SSTR2 P30874 1/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ SSTR3 P32745 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ CLPP Q16740 3/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PEX14 O75381 1/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ CCR3 P51677 2/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL7536713 1.00 CCR4 (0.37) CCR4SSTR1SSTR2SSTR4SSTR3
SCHEMBL5229554 0.83 TACR2 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5232940 0.83 TACR2 (0.43) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7094153 0.75 L3MBTL1 (0.43) CCR4SSTR1SSTR2SSTR4SSTR3
SCHEMBL5237322 0.73 CLPP (0.45) CLPPMAPTPEX14ALDH1A1GAA
SCHEMBL5237314 0.73 CLPP (0.45) CLPPMAPTPEX14ALDH1A1GAA
SCHEMBL5239008 0.73 CLPP (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL5232904 0.71 TACR2 (0.39) CCR3TACR2
Hydrochloric Acid SCHEMBL5235181 0.70 TACR1 (0.39) TACR2ALDH1A1
SCHEMBL5232732 0.70 XIAP (0.37) MEN1KMT2ACCR3TACR2ALDH1A1

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-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
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

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 CCR4 547/4885SSTR1 43/4885SSTR2 61/4885

“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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