SCHEMBL12323601

SCHEMBL12323601

CN1CCN(c2ccc(-c3cc(F)c4ccccc4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.62
▸ MAPT P10636 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ XBP1 P17861 1/20 0.62
▸ KLF5 Q13887 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ AHR P35869 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.56
▸ HCRTR1 O43613 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ TDP1 Q9NUW8 2/20 0.54
▸ HPGD P15428 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ADRA2A P08913 5/20 0.53
▸ ADRA2C P18825 5/20 0.53
▸ ADRA2B P18089 3/20 0.53
▸ KDM1A O60341 2/20 0.53

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
SCHEMBL15521623 0.81 DHODH (0.78) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL15521729 0.81 ADRA2A (0.75) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL12324748 0.80 MAPT (0.56) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL27894556 0.77 KDM4E (0.74) KDM4EMAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL21974462 0.77 KDM4E (1.00) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL20707610 0.77 ACHE (0.61) KDM4ESMN1; SMN2LMNAHPGDL3MBTL1
SCHEMBL6749969 0.76 SLC2A1 (0.70) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL13458946 0.74 MELK (0.55) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL29636698 0.74 ACP1 (0.53) KDM4EMAPTNPC1RAB9AXBP1
SCHEMBL6751610 0.74 SLC2A1 (0.61) KDM4EMAPTNPC1RAB9AXBP1

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 11 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-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
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

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 KDM4E 4835/4885MAPT 1/4885NPC1 68/4885
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 KDM4E 4835/4885MAPT 1/4885NPC1 143/4885
US-20100239496-A1 Imaging agents for detecting neurological disorders MAPT, APP, PSEN1 KDM4E 4835/4885MAPT 1/4885NPC1 68/4885

“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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