SCHEMBL4491722

SCHEMBL4491722

O=C1C(CC2CCN(Cc3ccccc3)CC2)Cc2nc3ccccc3n21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.45
BCHE P06276 3/20 0.45
FAAH O00519 1/20 0.45
ABCC4 O15439 1/20 0.45
CACNA1F O60840 1/20 0.45
PDE5A O76074 1/20 0.45
ABCB11 O95342 1/20 0.45
APP P05067 1/20 0.45
CHRM2 P08172 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP3A4 P08684 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
SLC6A2 P23975 1/20 0.45
MAOB P27338 1/20 0.45
AGTR1 P30556 1/20 0.45
ADRA1A P35348 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
SCHEMBL9264959 0.79 BCHE (0.48) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL27471076 0.76 CCR3 (0.41) ACHEBCHECCR3
SCHEMBL9259210 0.73 BCHE (0.45) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL9256312 0.73 BCHE (0.45) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL9257639 0.72 BCHE (0.60) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL9537056 0.71 CCR3 (0.56) DRD4HRH3KDM4ECCR3
SCHEMBL9262637 0.71 ACHE (0.48) ACHEBACE1
SCHEMBL9260211 0.71 ACHE (0.48) ACHEBACE1
SCHEMBL9258246 0.70 BCHE (0.51) ACHEBCHEFAAHABCC4CACNA1F
SCHEMBL9262788 0.70 BCHE (0.53) ACHEBCHEFAAHABCC4CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US claimed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 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-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
EP-1640021-A1 PREVENTIVE/REMEDY FOR URINARY DISTURBANCE Takeda Pharmaceutical Company Limited (JP) 2006-03-29 EP 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
US-5428043-A Tricyclic-cyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1995-06-27 US disclosed
EP-0441517-A2 Tricyclic amines as novel cholinesterase inhibitors PFIZER INC. (US) 1991-08-14 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 (4 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT ACHE 1/4885BCHE 2/4885FAAH 510/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885BCHE 2/4885FAAH 982/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ACHE 1/4885BCHE 3/4885FAAH 786/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885BCHE 2/4885FAAH 898/4885

“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.