SCHEMBL2725997

SCHEMBL2725997

CC1CN(c2cc(Cl)ccn2)CC(C)O1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ CHI3L1 P36222 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ CHIT1 Q13231 1/20 0.47
▸ CHIA Q9BZP6 1/20 0.47
▸ LRRK2 Q5S007 7/20 0.46
▸ LMNA P02545 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ ACACB O00763 1/20 0.43
▸ HPGD P15428 1/20 0.42

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
SCHEMBL2726000 1.00 TDP1 (0.58) TDP1KMT2ACHI3L1KCNH2CHIT1
SCHEMBL4550904 1.00 TDP1 (0.58) TDP1KMT2ACHI3L1KCNH2CHIT1
SCHEMBL30729441 0.81 LRRK2 (0.46) TDP1KMT2ALRRK2PIK3CDPIK3CA
SCHEMBL22290812 0.81 LRRK2 (0.46) TDP1KMT2ALRRK2PIK3CDPIK3CA
SCHEMBL29889142 0.81 LRRK2 (0.46) TDP1KMT2ALRRK2PIK3CDPIK3CA
SCHEMBL28402936 0.81 LRRK2 (0.47) TDP1KMT2AKCNH2LRRK2PIK3CD
SCHEMBL31400968 0.81 KDM4E (0.50) TDP1KMT2ACHI3L1CHIT1CHIA
SCHEMBL22290811 0.81 LRRK2 (0.46) TDP1KMT2ALRRK2PIK3CDPIK3CA
SCHEMBL30556697 0.78 ATM (0.46) TDP1KMT2ACHI3L1KCNH2CHIT1
SCHEMBL20361408 0.77 KMT2A (0.54) TDP1KMT2ALMNAKDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133178-B2 Alpha-7 nicotinic receptor modulators for the treatment of pain, a psychotic disorder, cognitive impairment or alzheimer'S disease PROXIMAGEN LIMITED (GB) 2015-09-15 — — US disclosed
US-20130310380-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE PROXIMAGEN LIMITED (GB) 2013-11-21 — — US disclosed
EP-2632918-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE Proximagen Limited (GB) 2013-09-04 — — EP disclosed
WO-2012055942-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE PROXIMAGEN LIMITED (GB) 2012-05-03 — — 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 (1 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-20130310380-A1 ALPHA-7 NICOTINIC RECEPTOR MODULATORS FOR THE TREATMENT OF PAIN, A PSYCHOTIC DISORDER, COGNITIVE IMPAIRMENT OR ALZHEIMER'S DISEASE CHRNA7, CHRNA10, CHRNA5 TDP1 2296/4885KMT2A 2700/4885CHI3L1 4603/4885

“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.

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