SCHEMBL6341433

SCHEMBL6341433

COc1ccccc1CN(CC(=O)C(c1ccccc1)c1ccccc1)C[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PREP P48147 2/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ACE2 Q9BYF1 3/20 0.41
▸ CTRB1 P17538 1/20 0.40
▸ BCHE P06276 4/20 0.40
▸ ACHE P22303 4/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ AGTR2 P50052 1/20 0.39

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
SCHEMBL7204176 1.00 ALDH1A1 (0.44) ALDH1A1NPSR1PREPKMT2AMEN1
SCHEMBL6333422 0.83 PARP1 (0.47) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6336995 0.83 PARP1 (0.47) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6635272 0.79 PARP1 (0.45) KMT2AMEN1CRHBPCRHR2
SCHEMBL7006162 0.77 KMT2A (0.45) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL18506016 0.76 PREP (0.52) NPSR1PREPTSHRL3MBTL1ACE2
SCHEMBL6540897 0.76 MEN1 (0.46) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6906741 0.75 MEN1 (0.41) KMT2AMEN1CRHBPCRHR2BCHE
SCHEMBL6337611 0.75 KDM4E (0.55) ALDH1A1NPSR1PREPKMT2AMEN1
SCHEMBL6541558 0.73 ALDH1A1 (0.39) ALDH1A1AGTR2

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 10 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
EP-1368343-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 — — EP 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
EP-1294700-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP disclosed
WO-2002055518-A1 1-(2-METHOXYBENZYL)-3-BENZHYDRYLPIPERAZINES AS TACHYKININ ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-18 — — WO disclosed
WO-2002000631-A2 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 — — 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 ALDH1A1 2029/4885NPSR1 25/4885PREP 898/4885
US-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 ALDH1A1 1690/4885NPSR1 30/4885PREP 1105/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 ALDH1A1 1825/4885NPSR1 21/4885PREP 1059/4885

“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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