SCHEMBL4501858

SCHEMBL4501858

O=C1Cc2cc(C3CCCCC3)ccc2N1CCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 16/20 0.59
HTR7 P34969 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
OPRL1 P41146 1/20 0.47
BCHE P06276 1/20 0.47

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
SCHEMBL9097753 0.89 DRD2 (0.55) ACHEHTR7OPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL9097011 0.88 DRD2 (0.54) ACHEHTR7OPRM1OPRK1OPRL1
SCHEMBL9094898 0.88 DRD2 (0.56) ACHEHTR7OPRM1OPRK1OPRL1
SCHEMBL9097303 0.84 ACHE (0.64) ACHEOPRM1OPRK1OPRL1BCHE
SCHEMBL12013902 0.83 ACHE (0.75) ACHEHTR7OPRM1OPRK1OPRL1
SCHEMBL6281445 0.82 ACHE (0.58) ACHE
SCHEMBL9096175 0.81 ACHE (0.67) ACHE
SCHEMBL27379861 0.81 HTR7 (0.49) HTR7
SCHEMBL9096623 0.79 DRD4 (0.51) HTR7
SCHEMBL14601865 0.76 CHRM2 (0.71) 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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US claimed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP claimed
EP-1058548-A1 NEW USE AstraZeneca AB (SE) 2000-12-13 EP claimed
WO-1999044608-A1 NEW USE ASTRAZENECA AB (SE) 1999-09-10 WO 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-6906090-B1 Compositions and methods for treating mycobacterial diseases ASTRAZENECA AB (SE) 2005-06-14 US disclosed
US-20040116457-A1 Agents for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1058548-B1 THE USE OF ISATIN AND OXINDOLE DERIVATIVES IN THE PREPARATION OF A MEDICAMENT FOR USE IN THE TREATMENT OF MYCOBACTERIAL DISEASE ASTRAZENECA AB (SE) 2003-09-17 EP 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-1058548-A1 NEW USE AstraZeneca AB (SE) 2000-12-13 EP disclosed
WO-1999044608-A1 NEW USE ASTRAZENECA AB (SE) 1999-09-10 WO disclosed
US-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 US disclosed
CN-1079464-A Treatment comprises the preparation method of the valuable indolone of illness of cholinergic function reduction and the derivative of indole dione ASTRA AB (SE) 1993-12-15 CN 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 1/4885HTR7 1697/4885OPRM1 1053/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885HTR7 1962/4885OPRM1 974/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE ACHE 1/4885HTR7 2877/4885OPRM1 1269/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A ACHE 1/4885HTR7 2102/4885OPRM1 923/4885

“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.