SCHEMBL4501081

SCHEMBL4501081

Nc1c2c(nc3ccccc13)CCC(CCC1CCN(Cc3ccccc3)CC1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ACHE P22303 7/20 0.48

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
Hydrochloric Acid SCHEMBL7279552 0.99 MEN1 (0.51) MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL7280811 0.94 MEN1 (0.50) MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL7279882 0.94 MEN1 (0.50) MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL7283670 0.93 MEN1 (0.49) MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL7281780 0.90 MEN1 (0.49) MEN1KMT2AACHE
Hydrochloric Acid SCHEMBL7281108 0.86 DCPS (0.42) MEN1KMT2AACHE
SCHEMBL7281797 0.86 ACHE (0.46) ACHE
SCHEMBL7282046 0.85 ACHE (0.46) MEN1KMT2AACHE
SCHEMBL7280234 0.84 ACHE (0.45) ACHE
SCHEMBL7274516 0.83 ACHE (0.46) 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 16 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
EP-0481429-B1 Quinoline derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
EP-0987262-A1 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 2000-03-22 EP disclosed
US-5300517-A Treating Alzheimer's SS PHARMACEUTICAL CO., LTD. (JP) 1994-04-05 US disclosed
US-5240934-A Cognition activators SS PHARMACEUTICAL CO., LTD. (JP) 1993-08-31 US disclosed
US-5190951-A Inhibitors of acetylcholinesterase, treatment of senile dementia SS PHARMACEUTICAL CO., LTD. (JP) 1993-03-02 US disclosed
EP-0481429-A2 Quinoline derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 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 MEN1 2903/4885KMT2A 2626/4885ACHE 1/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MEN1 3293/4885KMT2A 1919/4885ACHE 1/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MEN1 3760/4885KMT2A 1482/4885ACHE 1/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MEN1 3303/4885KMT2A 1771/4885ACHE 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.