SCHEMBL5016287

SCHEMBL5016287

O=C(OC(CCCc1cccnc1)CCCc1cccnc1)[C@@H]1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 13/20 0.52
FKBP4 Q02790 2/20 0.52
FKBP5 Q13451 2/20 0.52
ABCC1 P33527 1/20 0.50
PTAFR P25105 2/20 0.41
TBXAS1 P24557 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
SCHEMBL16586222 1.00 FKBP1A (0.52) FKBP1AFKBP4FKBP5ABCC1PTAFR
SCHEMBL7220110 0.87 FKBP1A (0.53) FKBP1A
SCHEMBL27475679 0.81 FKBP1A (0.57) FKBP1A
SCHEMBL13938148 0.81 FKBP1A (0.52) FKBP1AFKBP4FKBP5ABCC1TBXAS1
SCHEMBL6926542 0.80 FKBP1A (0.54) FKBP1AFKBP4FKBP5
SCHEMBL7757112 0.80 FKBP1A (0.54) FKBP1AFKBP4FKBP5
SCHEMBL3674851 0.79 FKBP1A (0.47) FKBP1A
SCHEMBL3676924 0.74 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL3676926 0.74 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL5017050 0.73 FKBP1A (0.65) FKBP1AFKBP4FKBP5ABCC1

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 24 patents — showing the first 20. 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-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-20180072667-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2018-03-15 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-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-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-1138673-B1 Novel carbamates and ureas as modifiers of multi-drug resistance VERTEX PHARMA (US) 2008-08-06 EP disclosed
EP-1666053-A1 Methods and compositions for stimulating neurite growth using compounds with affinity for fkbp12 in combination with neurotrophic factors Vertex Pharmceuticals Incorporated (US) 2006-06-07 EP disclosed
EP-0754176-B1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMA (US) 2001-12-05 EP disclosed
EP-1138673-A2 Novel carbamates and ureas as modifiers of multi-drug resistance Vertex Pharmaceuticals Incorporated (US) 2001-10-04 EP disclosed
EP-0941113-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS Vertex Pharmaceuticals Incorporated (US) 1999-09-15 EP disclosed
US-5780484-A Methods for stimulating neurite growth with piperidine compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-07-14 US disclosed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US disclosed
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP disclosed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 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 FKBP1A 2/4885FKBP4 5/4885FKBP5 1/4885
US-10246413-B2 Selective FKBP51 ligands for treatment of psychiatric disorders FKBP5, FKBP1A, FKBP3 FKBP1A 2/4885FKBP4 5/4885FKBP5 1/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B FKBP1A 2/4885FKBP4 6/4885FKBP5 1/4885

“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.