SCHEMBL3099696

SCHEMBL3099696

CC(=O)N1CCN(C(=O)C2CCN(c3cccc(-c4ccccc4)c3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.64
HSD17B10 Q99714 5/20 0.64
CYP1A2 P05177 4/20 0.64
CYP2D6 P10635 3/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
ALDH1A1 P00352 5/20 0.59
HPGD P15428 2/20 0.59
CYP2C9 P11712 3/20 0.55
CYP2C19 P33261 3/20 0.55
KMT2A Q03164 2/20 0.55
CYP3A4 P08684 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
CNR1 P21554 1/20 0.52
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
NAMPT P43490 1/20 0.50
RUVBL1 Q9Y265 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL3106854 0.88 KMT2A (0.60) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3108914 0.88 KMT2A (0.56) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3099046 0.87 KMT2A (0.59) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3103791 0.87 KMT2A (0.59) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3092140 0.86 SMN1; SMN2 (0.51) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3103326 0.85 MAPT (0.60) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3101132 0.85 SMN1; SMN2 (0.48) USP2HSD17B10CYP1A2CYP2D6MAPK1
SCHEMBL3103335 0.85 NOTUM (0.60) USP2HSD17B10MAPK1SMN1; SMN2ALDH1A1
SCHEMBL3109845 0.82 MAPT (0.62) SMN1; SMN2ALDH1A1KMT2AMEN1TP53
SCHEMBL3092126 0.81 USP2 (0.47) USP2HSD17B10CYP1A2CYP2D6MAPK1

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 13 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-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 USP2 4168/4885HSD17B10 1666/4885CYP1A2 1727/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 USP2 4168/4885HSD17B10 1666/4885CYP1A2 1727/4885

“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.