SCHEMBL909211

SCHEMBL909211

NN1CCCN(c2ccc(Cl)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 2/20 0.40
MAOB P27338 1/20 0.40
ADORA1 P30542 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
PTGS2 P35354 1/20 0.39
ALOX15 P16050 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL11659061 0.89 DRD2 (0.50) DRD2DRD3CTSGCMA1ALDH1A1
Sulfuric Acid SCHEMBL11617507 0.83 DRD2 (0.46) DRD2DRD3CTSGCMA1ALOX5
SCHEMBL1533117 0.82 NOX4 (0.51) DRD2DRD3CTSGCMA1ALDH1A1
SCHEMBL14337562 0.82 DRD2 (0.48) DRD2DRD3CTSGCMA1ALDH1A1
SCHEMBL909200 0.81 MEN1 (0.61) DRD2DRD3CTSGCMA1
SCHEMBL6399376 0.74 DRD2 (0.43) DRD2DRD3CTSGCMA1ALDH1A1
SCHEMBL1703944 0.72 ALDH1A1 (0.62) ALDH1A1TP53ALOX5HTTLMNA
SCHEMBL29930316 0.72 ALDH1A1 (0.62) ALDH1A1TP53ALOX5HTTLMNA
SCHEMBL2725729 0.70 MAPT (0.59) ALDH1A1HTTLMNA
SCHEMBL22349847 0.70 DRD2 (0.54) DRD2DRD3CTSGCMA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 DRD2 1015/4885DRD3 731/4885CTSG 2632/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 DRD2 1986/4885DRD3 1367/4885CTSG 4011/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 DRD2 1637/4885DRD3 1427/4885CTSG 1966/4885

“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.