SCHEMBL3103482

SCHEMBL3103482

NC(=O)C1CCCN1C(=O)C1CCN(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APOL1 O14791 1/20 0.49
HTR1A P08908 3/20 0.45
HTR7 P34969 3/20 0.45
DPP4 P27487 1/20 0.40
SCN9A Q15858 3/20 0.40
NPY5R Q15761 5/20 0.38
RIPK1 Q13546 1/20 0.37
CHRM2 P08172 1/20 0.37
HCRTR2 O43614 1/20 0.37
CNR2 P34972 1/20 0.36

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
SCHEMBL13096971 1.00 APOL1 (0.49) APOL1HTR1AHTR7DPP4SCN9A
SCHEMBL13096960 0.81 APOL1 (0.45) APOL1HTR1AHTR7DPP4NPY5R
SCHEMBL3088220 0.81 APOL1 (0.45) APOL1HTR1AHTR7DPP4NPY5R
SCHEMBL6370587 0.80 LSS (0.46) APOL1HTR1AHTR7
SCHEMBL13096962 0.78 NOTUM (0.54) HTR1AHTR7NPY5R
SCHEMBL3096685 0.78 NOTUM (0.54) HTR1AHTR7NPY5R
SCHEMBL3097846 0.78 POLB (0.60) HTR1AHTR7
SCHEMBL13096967 0.78 POLB (0.60) HTR1AHTR7
SCHEMBL13096952 0.77 HTR1A (0.46) APOL1HTR1AHTR7DPP4RIPK1
SCHEMBL3103804 0.77 HTR1A (0.46) APOL1HTR1AHTR7DPP4RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768959-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-04 EP claimed
WO-2006004793-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2006-01-12 WO claimed
US-20050288281-A1 Hetero isonipecotic modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2005-12-29 US claimed
US-8604190-B2 Hetero isonipecotic modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-12-10 US disclosed
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR GAUL MICHEAL D 2010-10-07 US disclosed
US-7622579-B2 (1-o-Tolyl-piperidin-4-yl)-thiomorpholin-4-yl-methanone; useful for treating diseases and conditions selected from osteoarthritis, rheumatoid arthritis, fibromyalgia, migraine, headache, toothache, sunburn, asthma, chronic obstructive pulmonary disease, rhinitis, contact dermatitis/hypersensitivity JANSSEN PHARMACEUTICA NV (BE) 2009-11-24 US disclosed
EP-1768959-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-04 EP disclosed
WO-2006004793-A2 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2006-01-12 WO disclosed
US-20050288281-A1 Hetero isonipecotic modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2005-12-29 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-20050288281-A1 Hetero isonipecotic modulators of vanilloid VR1 receptor VDAC1, HVCN1, TRPV1 APOL1 2661/4885HTR1A 165/4885HTR7 443/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 APOL1 2661/4885HTR1A 165/4885HTR7 443/4885

“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.