SCHEMBL16586403

SCHEMBL16586403

O=C(O)[C@H](c1cccc(F)c1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.46
HTR1E P28566 2/20 0.46
S1PR3 Q99500 2/20 0.46
MAPT P10636 1/20 0.46
CHRM3 P20309 2/20 0.45
HTT P42858 2/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL4242179 0.98 OPRL1 (0.48) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL1566296 0.82 EPHX1 (0.43) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL67219 0.82 HTR1E (0.63) OPRM1MEN1KMT2ALMNAHTR1E
SCHEMBL12531975 0.82 HTR1E (0.63) OPRM1MEN1KMT2ALMNAHTR1E
SCHEMBL3953705 0.82 NPC1 (0.48) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL3953759 0.82 NPC1 (0.48) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL27336300 0.82 MEN1 (0.46) OPRM1MEN1KMT2ALMNAHTR1E
SCHEMBL30911380 0.82 MEN1 (0.46) OPRM1MEN1KMT2ALMNAHTR1E
SCHEMBL13701473 0.81 SLC6A3 (0.61)
Hydrochloric Acid SCHEMBL11526873 0.80 HTR1E (0.61) OPRM1MEN1KMT2ALMNAHTR1E

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 7 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
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
EP-3030556-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften (DE) 2016-06-15 EP disclosed
WO-2015039758-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-26 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-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP3 OPRL1 91/4885OPRM1 550/4885OPRD1 224/4885
US-10246413-B2 Selective FKBP51 ligands for treatment of psychiatric disorders FKBP5, FKBP1A, FKBP3 OPRL1 91/4885OPRM1 550/4885OPRD1 224/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B OPRL1 70/4885OPRM1 506/4885OPRD1 193/4885

“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.