SCHEMBL3923399

SCHEMBL3923399

OC(CCCc1cccnc1)CCCc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HRH1 P35367 2/20 0.56
TBXAS1 P24557 7/20 0.56
CHRNA7 P36544 2/20 0.53
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL7549229 0.95 TBXAS1 (0.55) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL7384270 0.95 TBXAS1 (0.55) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL7692528 0.92 TDP1 (0.63) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL8464889 0.92 TBXAS1 (0.53) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL8464891 0.92 TBXAS1 (0.53) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL7803183 0.90 TDP1 (0.60) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL9522636 0.90 TDP1 (0.60) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL5016747 0.89 CHRNA7 (0.57) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL7164881 0.86 TDP1 (0.59) CYP2A6TDP1L3MBTL1HRH1TBXAS1
SCHEMBL9520426 0.86 TDP1 (0.59) CYP2A6TDP1L3MBTL1HRH1TBXAS1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0872466-B1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates FABBRICA ITALIANA SINTETICI SPA (IT) 2002-01-30 EP claimed
US-5973157-A Process for the synthesis of 1,7-diarly or heteroaryl-heptane-4-ols and new synthetic intermediates F.I.S. FABBRICA ILTALIANA SINTETICI S.P.A. (IT) 1999-10-26 US claimed
EP-0872466-A1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates F.I.S. FABBRICA ITALIANA SINTETICI S.p.A. (IT) 1998-10-21 EP claimed
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-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-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
US-5973157-A Process for the synthesis of 1,7-diarly or heteroaryl-heptane-4-ols and new synthetic intermediates F.I.S. FABBRICA ILTALIANA SINTETICI S.P.A. (IT) 1999-10-26 US 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
WO-1999010340-A1 COMPOUNDS POSSESSING NEURONAL ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1999-03-04 WO disclosed
EP-0872466-A1 Process for the synthesis of 1,7-diaryl or 1,7-heteroarylheptan-4-ols and synthetic intermediates F.I.S. FABBRICA ITALIANA SINTETICI S.p.A. (IT) 1998-10-21 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 CYP2A6 2095/4885TDP1 615/4885L3MBTL1 2374/4885
US-10246413-B2 Selective FKBP51 ligands for treatment of psychiatric disorders FKBP5, FKBP1A, FKBP3 CYP2A6 2095/4885TDP1 615/4885L3MBTL1 2374/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B CYP2A6 1443/4885TDP1 704/4885L3MBTL1 3157/4885

“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.