SCHEMBL4500323

SCHEMBL4500323

CCN(CCCCCN1C(=O)Cc2cc(C3CCCCC3)ccc21)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
HTR7 P34969 4/20 0.44
MAOA P21397 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.40

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
SCHEMBL9047059 0.99 MAOB (0.50) MAOBBCHEACHEHTR7MAOA
SCHEMBL4503347 0.84 MAOB (0.56) MAOBBCHEACHE
SCHEMBL9049638 0.83 MAOB (0.56) MAOBBCHEACHEMAOA
SCHEMBL9050379 0.83 MAOB (0.55) MAOBBCHEACHE
SCHEMBL9051174 0.82 MAOB (0.63) MAOBBCHEACHEHTR7HTR1A
SCHEMBL9063372 0.82 MAOB (0.63) MAOBBCHEACHEHTR7HTR1A
SCHEMBL9049026 0.81 MAOB (0.54) MAOBBCHEACHEMAOA
SCHEMBL9048736 0.81 MAOB (0.54) MAOBBCHEACHEMAOA
SCHEMBL9048953 0.81 MAOB (0.62) MAOBBCHEACHEHTR7HTR1A
SCHEMBL4500322 0.77 HTR7 (0.45) HTR7CYP3A4TSHRHSD17B10HTR1A

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-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

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 MAOB 53/4885BCHE 2/4885ACHE 1/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAOB 207/4885BCHE 2/4885ACHE 1/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MAOB 259/4885BCHE 3/4885ACHE 1/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAOB 233/4885BCHE 2/4885ACHE 1/4885

“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.