SCHEMBL4499285

SCHEMBL4499285

O=C(CCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CN(Cc1ccccc1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 15/20 0.56
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HTR1A P08908 1/20 0.50
DRD2 P14416 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR7 P34969 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50

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
SCHEMBL14577865 0.91 ACHE (0.59) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL8791519 0.87 ACHE (0.60) ACHEHDAC1HDAC6
Hydrochloric Acid SCHEMBL8790451 0.86 ACHE (0.59) ACHEHTR1ADRD2HTR2AHTR2C
SCHEMBL5578131 0.86 HDAC1 (0.62) ACHEHDAC1HDAC6
Hydrochloric Acid SCHEMBL8791390 0.85 ALDH1A1 (0.59) ACHE
SCHEMBL7236538 0.85 ACHE (0.74) ACHE
Hydrochloric Acid SCHEMBL9201633 0.84 ACHE (0.73) ACHE
Hydrochloric Acid SCHEMBL8789998 0.84 ACHE (0.58) ACHE
SCHEMBL8790909 0.83 ACHE (0.56) ACHE
Hydrochloric Acid SCHEMBL7246562 0.83 ACHE (0.65) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560235-B1 Condensed heterocyclic ketone derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 EP claimed
US-5462934-A Cholinesterase inhibitor; learning enhancement TAKEDA CHEMICAL INDUSTRIES (JP) 1995-10-31 US claimed
EP-0560235-A1 Condensed heterocyclic ketone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-09-15 EP claimed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
EP-1604653-A1 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2005-12-14 EP disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP 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-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885HDAC1 291/4885HDAC6 559/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ACHE 1/4885HDAC1 304/4885HDAC6 399/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885HDAC1 231/4885HDAC6 484/4885

“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.