SCHEMBL2163003

SCHEMBL2163003

CN(C)c1ccc(-c2nccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.56
CNR2 P34972 1/20 0.55
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
CYP1A2 P05177 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP3A4 P08684 3/20 0.47
HPGD P15428 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
GPR55 Q9Y2T6 1/20 0.47
GLA P06280 2/20 0.46

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
SCHEMBL12403234 0.87 KDM4E (0.45) S100A4CNR2KDM4EMAPTNPC1
SCHEMBL12112873 0.86 MAPT (0.58) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL7004022 0.83 KDM4E (0.47) S100A4CNR2KDM4EMAPTNPC1
SCHEMBL3142955 0.81 ALDH1A1 (0.65) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL3180290 0.81 PSMB5 (0.49) S100A4CNR2KDM4EMAPTNPC1
SCHEMBL11976487 0.80 KDM4E (0.62) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL50715 0.80 KDM4E (0.66) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL29398625 0.80 KDM4E (0.66) KDM4EMAPTNPC1RAB9ACYP1A2
Hydrochloric Acid SCHEMBL3320129 0.79 ALDH1A1 (0.63) KDM4EMAPTNPC1RAB9ACYP1A2
SCHEMBL11976486 0.79 ALDH1A1 (0.63) KDM4EMAPTNPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-20130302248-A1 Imaging Agents for Detecting Neurological Disorders LILLY CO ELI (US) 2013-11-14 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
US-8491869-B2 Imaging agents for detecting neurological disorders ELI LILLY AND COMPANY (US) 2013-07-23 US disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US disclosed
WO-2010111303-A2 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-30 WO disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US disclosed
US-20100239496-A1 Imaging agents for detecting neurological disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-09-23 US 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-20130302248-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 S100A4 172/4885CNR2 2771/4885KDM4E 4835/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 S100A4 89/4885CNR2 2479/4885KDM4E 4835/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 S100A4 172/4885CNR2 2771/4885KDM4E 4835/4885

“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.