SCHEMBL909528

SCHEMBL909528

NN1CCCC(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.43
DRD2 P14416 1/20 0.43
PIK3C3 Q8NEB9 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41

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) HTR2CPIK3C3
SCHEMBL908173 0.79 ALDH1A1 (0.44) HTR2CPIK3C3
SCHEMBL908449 0.78 CHRM2 (0.47)
SCHEMBL9615161 0.75 ROCK2 (0.47) DRD2
SCHEMBL908994 0.74 L3MBTL1 (0.39) HTR2CHTR2AHTR2B
SCHEMBL1138354 0.74 HTR2C (0.48) HTR2CDRD2HTR2AHTR2B
SCHEMBL908977 0.73 AR (0.40) HTR2CHTR2AHTR2B
SCHEMBL187797 0.72 RBP4 (0.47) HTR2CHTR2AHTR2B
SCHEMBL1617263 0.72 HTR2C (0.46) HTR2CDRD2HTR2AHTR2B
SCHEMBL12462449 0.72 RBP4 (0.47) HTR2CHTR2AHTR2B

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 HTR2C 622/4885DRD2 1015/4885PIK3C3 4421/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 HTR2C 823/4885DRD2 1986/4885PIK3C3 4533/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 HTR2C 893/4885DRD2 1637/4885PIK3C3 4559/4885

“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.