SCHEMBL3103804

SCHEMBL3103804

NC(=O)C1CCCN1C(=O)C1CCN(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.46
HTR7 P34969 3/20 0.46
DPP4 P27487 2/20 0.44
SPHK2 Q9NRA0 1/20 0.42
SPHK1 Q9NYA1 1/20 0.42
USP2 O75604 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.41
APOL1 O14791 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RIPK1 Q13546 2/20 0.41
CYP3A4 P08684 2/20 0.40
NOTUM Q6P988 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL13096952 1.00 HTR1A (0.46) HTR1AHTR7DPP4SPHK2SPHK1
SCHEMBL3096685 0.85 NOTUM (0.54) HTR1AHTR7ALDH1A1NOTUM
SCHEMBL13096962 0.85 NOTUM (0.54) HTR1AHTR7ALDH1A1NOTUM
SCHEMBL13096964 0.83 USP2 (0.49) HTR1AHTR7SPHK2SPHK1USP2
SCHEMBL3106910 0.83 USP2 (0.49) HTR1AHTR7SPHK2SPHK1USP2
SCHEMBL13096967 0.82 POLB (0.60) HTR1AHTR7USP2SMN1; SMN2ALDH1A1
SCHEMBL3097846 0.82 POLB (0.60) HTR1AHTR7USP2SMN1; SMN2ALDH1A1
SCHEMBL3106854 0.79 KMT2A (0.60) HTR1AHTR7USP2SMN1; SMN2HSD17B10
SCHEMBL3108914 0.79 KMT2A (0.56) HTR1AHTR7USP2SMN1; SMN2HSD17B10
SCHEMBL3099046 0.78 KMT2A (0.59) HTR1AHTR7USP2SMN1; SMN2HSD17B10

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 HTR1A 165/4885HTR7 443/4885DPP4 2606/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 HTR1A 165/4885HTR7 443/4885DPP4 2606/4885

“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.