SCHEMBL3098642

SCHEMBL3098642

CC(=O)N1CCN(C(=O)C2CCN(c3cc(F)cc(F)c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.55
MAPT P10636 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NAMPT P43490 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MMP2 P08253 1/20 0.45
MMP13 P45452 1/20 0.45
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
RORC P51449 1/20 0.44
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43

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
SCHEMBL3101108 0.87 MAPT (0.47) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL3095092 0.87 HPGD (0.50) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL3101036 0.85 HPGD (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3109861 0.85 HPGD (0.53) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3224721 0.84 MAPT (0.45) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL3103803 0.83 SMN1; SMN2 (0.59) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3106589 0.83 CHRM4 (0.50) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL3092109 0.80 MEN1 (0.48) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3103721 0.78 DPP4 (0.45) NPY5RMAPTALDH1A1KMT2AMEN1
SCHEMBL3103335 0.77 NOTUM (0.60) MAPTALDH1A1KMT2AMEN1SMN1; 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 9 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
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 NPY5R 1901/4885MAPT 4524/4885ALDH1A1 1592/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 NPY5R 1901/4885MAPT 4524/4885ALDH1A1 1592/4885

“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.