SCHEMBL3199753

SCHEMBL3199753

CC(C)(C)OC(=O)N1CCN(Cc2cccc(N)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
VEGFA P15692 1/20 0.49
EGLN1 Q9GZT9 1/20 0.49
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
MGLL Q99685 6/20 0.45
PLA2G7 Q13093 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
KDM1A O60341 1/20 0.42
KDM1B Q8NB78 1/20 0.42
SMARCA2 P51531 1/20 0.42
SMARCA4 P51532 1/20 0.42
PBRM1 Q86U86 1/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL30605509 1.00 ALDH1A1 (0.50) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL7859088 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMGLLALOX15
SCHEMBL30477345 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBMGLLALOX15
SCHEMBL30038645 0.86 VEGFA (0.47) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL17152795 0.86 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL28456381 0.86 VEGFA (0.47) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL9933216 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL16171454 0.82 HRH3 (0.49) ALDH1A1KDM4EPOLB
SCHEMBL15943536 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBVEGFAEGLN1
SCHEMBL26603989 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBVEGFAEGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250049968-A1 THERAPEUTIC AND IMAGING AGENTS FOR TARGETING MYOCARDIAL TISSUE THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2025-02-13 US disclosed
WO-2023205291-A2 TARGETING MYOCARDIAL TISSUE FOR DELIVERY OF THERAPEUTIC AND IMAGING AGENTS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-10-26 WO disclosed
US-8871768-B2 Certain chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2014-10-28 US disclosed
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
US-8445495-B2 Certain Chemical entities, compositions and methods CYTOKINETICS, INC. (US) 2013-05-21 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
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-02-04 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 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 (4 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 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20250049968-A1 THERAPEUTIC AND IMAGING AGENTS FOR TARGETING MYOCARDIAL TISSUE MYLK2, MYOF, MYL6 ALDH1A1 3761/4885KDM4E 1297/4885POLB 3815/4885
US-20130324549-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885
US-20100029680-A1 Certain Chemical Entities, Compositions and Methods TNNI3, TNNT2, MYLK2 ALDH1A1 3619/4885KDM4E 2547/4885POLB 4326/4885

“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.