SCHEMBL3189475

SCHEMBL3189475

COC(=O)c1c(F)ccc(CN2CCN(C(=O)O)CC2)c1F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1B P49286 2/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 1/20 0.43
▸ MGLL Q99685 2/20 0.42
▸ BDKRB1 P46663 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL16198768 0.86 BDKRB1 (0.46) MTNR1BALDH1A1KDM4EBDKRB1HTT
SCHEMBL3201033 0.85 VEGFA (0.47) MTNR1BALDH1A1KDM4EPOLBMGLL
SCHEMBL14847422 0.75 MGLL (0.46) ALDH1A1KDM4EPOLBMGLLLMNA
SCHEMBL18006788 0.73 LOXL2 (0.47) BDKRB1
SCHEMBL28838411 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ENPSR1HTTMEN1
SCHEMBL15093903 0.72 MAPT (0.55) ALDH1A1LMNAMAPTGAAHPGD
SCHEMBL3200381 0.72 BDKRB1 (0.41) BDKRB1
SCHEMBL29467953 0.72 BDKRB1 (0.41) BDKRB1
SCHEMBL22684394 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBMGLLLMNA
SCHEMBL15264846 0.71 MAPT (0.45) ALDH1A1KDM4EMGLLLMNAHTT

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-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 — — US disclosed
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2013-12-05 — — US disclosed
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 — — US disclosed
EP-1959960-B1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS INC (US) 2013-04-10 — — EP disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 — — US disclosed
EP-1959960-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 — — EP disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 — — WO 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-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 MTNR1B 2028/4885ALDH1A1 3619/4885KDM4E 2547/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 MTNR1B 2028/4885ALDH1A1 3619/4885KDM4E 2547/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 MTNR1B 2028/4885ALDH1A1 3619/4885KDM4E 2547/4885

“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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