SCHEMBL4433102

SCHEMBL4433102

ClCC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.73
ACHE P22303 3/20 0.65
SIGMAR1 Q99720 2/20 0.63
ALDH1A1 P00352 3/20 0.63
CXCR4 P61073 1/20 0.63
DRD2 P14416 2/20 0.59
DRD4 P21917 1/20 0.59
DRD3 P35462 1/20 0.59
ATM Q13315 2/20 0.58
KDM4E B2RXH2 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
BCHE P06276 2/20 0.57
BACE1 P56817 1/20 0.57

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 SCHEMBL7854181 0.98 CCR3 (0.71) CCR3ACHESIGMAR1ALDH1A1CXCR4
SCHEMBL5969122 0.89 CCR3 (0.64) CCR3ACHESIGMAR1ALDH1A1CXCR4
SCHEMBL5969123 0.89 CCR3 (0.64) CCR3ACHESIGMAR1ALDH1A1CXCR4
SCHEMBL1714316 0.85 CCR3 (0.74) CCR3ACHESIGMAR1ALDH1A1CXCR4
SCHEMBL2004615 0.85 CCR3 (1.00) CCR3ACHESIGMAR1ALDH1A1ATM
SCHEMBL15140944 0.85 CCR3 (0.73) CCR3ACHESIGMAR1ALDH1A1CXCR4
Hydrochloric Acid SCHEMBL8342035 0.84 CCR3 (0.72) CCR3ACHEALDH1A1CXCR4ATM
SCHEMBL27503860 0.84 CCR3 (0.73) CCR3ACHESIGMAR1
SCHEMBL3107807 0.83 CCR3 (0.71) CCR3ACHESIGMAR1ALDH1A1CXCR4
SCHEMBL7977320 0.83 CCR3 (0.96) CCR3ACHESIGMAR1ALDH1A1CXCR4

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999994-B2 Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-04-07 US disclosed
US-8999994-B2 Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-04-07 US disclosed
US-8999994-B2 Derivatives of propargylamine having neuroprotective capacity for the treatment of Alzheimer's and Parkinson's diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2015-04-07 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-8580822-B2 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2013-11-12 US disclosed
US-20130012522-A1 NEW DERIVATIVES OF PROPARGYLAMINE HAVING NEUROPROTECTIVE CAPACITY FOR THE TREATMENT OF ALZHEIMER'S AND PARKINSON'S DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2013-01-10 US disclosed
US-20130012522-A1 NEW DERIVATIVES OF PROPARGYLAMINE HAVING NEUROPROTECTIVE CAPACITY FOR THE TREATMENT OF ALZHEIMER'S AND PARKINSON'S DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2013-01-10 US disclosed
US-20130012522-A1 NEW DERIVATIVES OF PROPARGYLAMINE HAVING NEUROPROTECTIVE CAPACITY FOR THE TREATMENT OF ALZHEIMER'S AND PARKINSON'S DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (ES) 2013-01-10 US disclosed
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors REVIVA PHARMACEUTICALS, INC. (US) 2008-06-26 US disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
WO-2008073452-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS REVIVA PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
EP-0881215-A1 PROCESS FOR THE PREPARATION OF 4-METHYLENEPIPERIDINES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1998-12-02 EP disclosed
CN-1038839-C Process for preparation of cyclic amine compounds EISAI CO LTD (JP) 1998-06-24 CN disclosed
US-5607950-A IRRITABLE BOWEL SYNDROME PFIZER INC. (US) 1997-03-04 US disclosed
CN-1034015-C Process to prepare cycloamine compounds EISAI CO LTD (JP) 1997-02-12 CN disclosed
EP-0508988-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-03-02 EP disclosed
EP-0508988-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-10-21 EP disclosed
WO-1991010647-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-07-25 WO 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 (3 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-20080153878-A1 Compositions, synthesis, and methods of using indanone based cholinesterase inhibitors ACHE, BCHE, CHKA CCR3 4236/4885ACHE 1/4885SIGMAR1 4125/4885
US-20120252842-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING INDANONE BASED CHOLINESTERASE INHIBITORS ACHE, BCHE, CHKA CCR3 4236/4885ACHE 1/4885SIGMAR1 4125/4885
US-20130012522-A1 NEW DERIVATIVES OF PROPARGYLAMINE HAVING NEUROPROTECTIVE CAPACITY FOR THE TREATMENT OF ALZHEIMER'S AND PARKINSON'S DISEASES CHRNA4, CHRNB4, CHRNA5 CCR3 249/4885ACHE 88/4885SIGMAR1 294/4885

“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.