SCHEMBL6337611

SCHEMBL6337611

COc1ccccc1CNC[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CXCR4 P61073 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TSHR P16473 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ PREP P48147 1/20 0.48
▸ RECQL P46063 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CTRB1 P17538 1/20 0.46
▸ SIGMAR1 Q99720 1/20 0.45
▸ TACR1 P25103 1/20 0.45

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
SCHEMBL34473807 0.81 PREP (0.54) KDM4ENPSR1ALDH1A1TP53MEN1
SCHEMBL13060873 0.81 PREP (0.54) KDM4ENPSR1ALDH1A1TP53MEN1
SCHEMBL22158059 0.81 PREP (0.54) KDM4ENPSR1ALDH1A1TP53MEN1
SCHEMBL14501993 0.80 DPP4 (0.51) KDM4EALDH1A1CXCR4MEN1KMT2A
SCHEMBL19349915 0.80 PREP (0.55) KDM4ENPSR1ALDH1A1TP53MEN1
SCHEMBL14535955 0.80 PREP (0.55) KDM4ENPSR1ALDH1A1TP53MEN1
SCHEMBL15937048 0.79 PREP (0.52) KDM4ENPSR1ALDH1A1KMT2ATSHR
SCHEMBL13006645 0.79 ACE2 (0.56) KDM4ENPSR1TP53MEN1KMT2A
SCHEMBL9037028 0.78 PREP (0.54) NPSR1KMT2ATSHRL3MBTL1PREP
SCHEMBL10154291 0.77 FKBP1A (0.54) KDM4ENPSR1TSHRL3MBTL1LMNA

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 KDM4E 3697/4885NPSR1 25/4885ALDH1A1 2029/4885
US-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 KDM4E 3170/4885NPSR1 30/4885ALDH1A1 1690/4885
US-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 KDM4E 3462/4885NPSR1 21/4885ALDH1A1 1825/4885

“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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