SCHEMBL3096685

SCHEMBL3096685

Cc1cccc(N2CCC(C(=O)N3CCCC3C(N)=O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.54
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
GPR119 Q8TDV5 1/20 0.45
GRM5 P41594 6/20 0.44
FFAR4 Q5NUL3 1/20 0.42
RPS6KB1 P23443 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NPY5R Q15761 1/20 0.41
ADRB1 P08588 1/20 0.41
MAPT P10636 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
SCHEMBL13096962 1.00 NOTUM (0.54) NOTUMHTR1AHTR7GPR119GRM5
SCHEMBL3106910 0.86 USP2 (0.49) HTR1AHTR7FFAR4ALDH1A1NPY5R
SCHEMBL13096964 0.86 USP2 (0.49) HTR1AHTR7FFAR4ALDH1A1NPY5R
SCHEMBL13096952 0.85 HTR1A (0.46) NOTUMHTR1AHTR7ALDH1A1
SCHEMBL3103804 0.85 HTR1A (0.46) NOTUMHTR1AHTR7ALDH1A1
SCHEMBL13096967 0.83 POLB (0.60) NOTUMHTR1AHTR7ALDH1A1
SCHEMBL3097846 0.83 POLB (0.60) NOTUMHTR1AHTR7ALDH1A1
SCHEMBL31381256 0.82 NOTUM (0.68) NOTUMGPR119FFAR4RPS6KB1ALDH1A1
SCHEMBL3088220 0.82 APOL1 (0.45) NOTUMHTR1AHTR7ALDH1A1NPY5R
SCHEMBL13096960 0.82 APOL1 (0.45) NOTUMHTR1AHTR7ALDH1A1NPY5R

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
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 NOTUM 3958/4885HTR1A 165/4885HTR7 443/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 NOTUM 3958/4885HTR1A 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.