SCHEMBL908173

SCHEMBL908173

NN1CCCC(c2cccc(Cl)c2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.41
HTR2C P28335 1/20 0.41
CHRNA7 P36544 1/20 0.41
PIK3C3 Q8NEB9 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL909482 0.82 TSHR (0.45) TSHRHTR2CPIK3C3
SCHEMBL908997 0.81 LMNA (0.41) ALDH1A1TSHRLMNANPSR1
SCHEMBL908449 0.81 CHRM2 (0.47) TSHRCHRNA7LMNA
SCHEMBL908834 0.80 PGR (0.38) ALDH1A1LMNASLC6A3
SCHEMBL909528 0.79 HTR2C (0.43) HTR2CPIK3C3
SCHEMBL908994 0.78 L3MBTL1 (0.39) HTR2CSLC6A3
SCHEMBL909255 0.77 SLC6A2 (0.40) SLC6A3
SCHEMBL909596 0.74 SLC6A2 (0.40) TSHRMAPK1HTR2CSLC6A3
SCHEMBL6030540 0.74 LMNA (0.43) HTR2CLMNA
SCHEMBL909045 0.73 ROCK2 (0.43) ALDH1A1CHRNA7

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-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US 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 ALDH1A1 1741/4885TSHR 4488/4885MAPK1 240/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 ALDH1A1 943/4885TSHR 3984/4885MAPK1 62/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 ALDH1A1 1583/4885TSHR 4674/4885MAPK1 297/4885

“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.