SCHEMBL3103335

SCHEMBL3103335

CC(=O)N1CCN(C(=O)C2CCN(c3cccc(C)c3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
ALDH1A1 P00352 5/20 0.54
MAPT P10636 4/20 0.53
GPR119 Q8TDV5 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 3/20 0.50
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
NAMPT P43490 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 3/20 0.49
GFER P55789 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48

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
SCHEMBL3095131 0.89 NOTUM (0.63) NOTUMALDH1A1MAPTGPR119POLB
SCHEMBL3103780 0.89 NOTUM (0.63) NOTUMALDH1A1MAPTGPR119POLB
SCHEMBL3095246 0.88 NOTUM (0.61) NOTUMALDH1A1MAPTGPR119POLB
SCHEMBL3092103 0.88 NOTUM (0.61) NOTUMALDH1A1MAPTGPR119POLB
SCHEMBL8230032 0.86 ALDH1A1 (0.61) NOTUMALDH1A1MAPTGPR119SMN1; SMN2
SCHEMBL3109816 0.86 KMT2A (0.60) NOTUMALDH1A1MAPTGPR119SMN1; SMN2
SCHEMBL3095110 0.86 NOTUM (0.59) NOTUMALDH1A1MAPTGPR119POLB
SCHEMBL3099696 0.85 USP2 (0.64) ALDH1A1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL3109845 0.85 MAPT (0.62) ALDH1A1MAPTPOLBSMN1; SMN2TP53
SCHEMBL3097876 0.83 POLB (0.76) NOTUMALDH1A1MAPTPOLBSMN1; SMN2

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 11 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-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR GAUL MICHEAL D 2010-10-07 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
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
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 3958/4885ALDH1A1 1592/4885MAPT 4524/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 NOTUM 3958/4885ALDH1A1 1592/4885MAPT 4524/4885

“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.