SCHEMBL2722644

SCHEMBL2722644

Cc1occc1C(=O)Cc1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
RAB9A P51151 5/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C19 P33261 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
IDO1 P14902 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.42
PKM P14618 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
SCHEMBL7981204 0.78 CTNNB1 (0.60) L3MBTL1RAB9ANPC1ALDH1A1KDM4E
SCHEMBL6203131 0.76 CYP2C19 (0.66) RAB9ANPC1POLBALDH1A1CYP2C19
SCHEMBL1255851 0.74 ALDH1A1 (0.62) L3MBTL1RAB9ANPC1POLBALDH1A1
SCHEMBL2722463 0.74 ALDH1A1 (0.48) L3MBTL1RAB9ANPC1POLBALDH1A1
SCHEMBL2722560 0.73 SMN1; SMN2 (0.45) L3MBTL1RAB9ANPC1POLBALDH1A1
SCHEMBL10924969 0.73 PKM (0.57) L3MBTL1RAB9ANPC1KDM4EMAPT
SCHEMBL17985011 0.73 KDM4E (0.60) RAB9ANPC1POLBALDH1A1KDM4E
SCHEMBL2724156 0.72 ALDH1A1 (0.56) POLBALDH1A1MAPTCYP2C19GAA
SCHEMBL6474309 0.72 ALDH1A1 (0.56) L3MBTL1RAB9ANPC1POLBALDH1A1
SCHEMBL3452522 0.72 RAB9A (0.62) RAB9ANPC1POLBALDH1A1KDM4E

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 8 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-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-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
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
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 L3MBTL1 3485/4885RAB9A 1548/4885NPC1 1102/4885

“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.