SCHEMBL4499239

SCHEMBL4499239

c1ccc(CN2CCC(CCCCCC3CCN(Cc4ccccc4)CC3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.69
ACHE P22303 8/20 0.61
BCHE P06276 2/20 0.61
ALDH1A1 P00352 1/20 0.59
CXCR4 P61073 1/20 0.59
SIGMAR1 Q99720 2/20 0.59
DRD2 P14416 1/20 0.59
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL4499901 1.00 CCR3 (0.69) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL3107807 0.95 CCR3 (0.71) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL12040802 0.92 KCNH2 (0.61) CCR3ACHEBCHE
SCHEMBL12044684 0.92 KCNH2 (0.61) CCR3ACHEBCHE
SCHEMBL14554030 0.92 CCR3 (0.59) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL6846812 0.92 CCR3 (0.68) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL7371344 0.92 SIGMAR1 (0.67) CCR3ACHEBCHESIGMAR1DRD2
SCHEMBL7272428 0.90 CCR3 (0.61) CCR3ACHEBCHEALDH1A1CXCR4
SCHEMBL4789907 0.90 CCR3 (0.61) CCR3ACHEBCHE
SCHEMBL6847071 0.90 CCR3 (0.70) CCR3ACHEBCHEALDH1A1CXCR4

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 CCR3 3703/4885ACHE 1/4885BCHE 2/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CCR3 3641/4885ACHE 1/4885BCHE 2/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE CCR3 3332/4885ACHE 1/4885BCHE 3/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A CCR3 3433/4885ACHE 1/4885BCHE 2/4885

“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.