SCHEMBL6906749

SCHEMBL6906749

COc1ccccc1CN(CC(=O)C(c1ccccc1)c1ccccc1)CC1CSCCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ BCHE P06276 9/20 0.36
▸ ACHE P22303 9/20 0.36
▸ FKBP1A P62942 1/20 0.34
▸ TACR1 P25103 2/20 0.34
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL6906741 1.00 MEN1 (0.41) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6336995 0.82 PARP1 (0.47) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6333422 0.82 PARP1 (0.47) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6635272 0.78 PARP1 (0.45) MEN1KMT2ACRHBPCRHR2ITGA4
SCHEMBL6341433 0.75 ALDH1A1 (0.44) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL7204176 0.75 ALDH1A1 (0.44) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6334919 0.75 KMT2A (0.45) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL7006162 0.75 KMT2A (0.45) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6540897 0.73 MEN1 (0.46) MEN1KMT2ACRHBPCRHR2BCHE
SCHEMBL6342999 0.71 KMT2A (0.40) MEN1KMT2ACRHBPCRHR2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 — — 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 MEN1 442/4885KMT2A 1539/4885CRHBP 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.

Send feedback