SCHEMBL6333422

SCHEMBL6333422

COc1ccccc1CN(CC(=O)C(c1ccccc1)c1ccccc1)C[C@H]1CN(C(=O)OCc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.47
▸ MEN1 O00255 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ BCHE P06276 5/20 0.37
▸ ACHE P22303 5/20 0.37
▸ PDE4B Q07343 2/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ ITGB7 P26010 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ NPC1 O15118 1/20 0.35

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
SCHEMBL6336995 1.00 PARP1 (0.47) PARP1MEN1CRHBPKMT2ACRHR2
SCHEMBL6635272 0.96 PARP1 (0.45) PARP1MEN1CRHBPKMT2ACRHR2
SCHEMBL6341433 0.83 ALDH1A1 (0.44) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL7204176 0.83 ALDH1A1 (0.44) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL7006162 0.82 KMT2A (0.45) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL6906741 0.82 MEN1 (0.41) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL6906749 0.82 MEN1 (0.41) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL6336912 0.77 KMT2A (0.40) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL6342999 0.77 KMT2A (0.40) MEN1CRHBPKMT2ACRHR2BCHE
SCHEMBL15156557 0.77 PARP1 (0.60) PARP1MEN1KMT2APDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 — — US disclosed
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 — — US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 — — EP disclosed
US-6787543-B2 PREPARATION OF TACHYKININ ANTAGONISTS; SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-07 — — US disclosed
US-20030176430-A1 Benzhydryl derivatives ASTELLAS PHARMA INC. (JP) 2003-09-18 — — US disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 — — 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 (3 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-20030176430-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 PARP1 2406/4885MEN1 629/4885CRHBP 779/4885
US-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 PARP1 3117/4885MEN1 550/4885CRHBP 1459/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 PARP1 3383/4885MEN1 442/4885CRHBP 265/4885

“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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