SCHEMBL19719620

SCHEMBL19719620

COc1cc([C@@H](C(=O)N2CCCC[C@H]2C(=O)OCCCOCc2ccccc2)C2CCCCC2)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 9/20 0.59
FKBP1A P62942 16/20 0.57
FKBP1B P68106 2/20 0.55
FKBP4 Q02790 2/20 0.53
TMEM97 Q5BJF2 2/20 0.49
HRH2 P25021 1/20 0.49
HTR1D P28221 1/20 0.49
SLC6A3 Q01959 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
FKBP2 P26885 1/20 0.49
HRH4 Q9H3N8 1/20 0.49

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
SCHEMBL16586353 1.00 FKBP5 (0.59) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL19719622 1.00 FKBP5 (0.59) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16586334 0.96 FKBP5 (0.60) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16586336 0.96 FKBP5 (0.60) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL19719683 0.96 FKBP5 (0.60) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL18120811 0.95 FKBP5 (0.54) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL18120809 0.91 FKBP5 (0.55) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16595041 0.88 FKBP5 (0.66) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL16586167 0.87 FKBP5 (0.66) FKBP5FKBP1AFKBP1BFKBP4TMEM97
SCHEMBL19719684 0.87 FKBP5 (0.66) FKBP5FKBP1AFKBP1BFKBP4TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030556-B1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2019-10-30 EP disclosed
US-10246413-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2019-04-02 US disclosed
US-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2018-03-15 US disclosed
US-9845292-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-19 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 (2 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-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP3 FKBP5 1/4885FKBP1A 2/4885FKBP1B 4/4885
US-10246413-B2 Selective FKBP51 ligands for treatment of psychiatric disorders FKBP5, FKBP1A, FKBP3 FKBP5 1/4885FKBP1A 2/4885FKBP1B 4/4885

“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.