SCHEMBL3103771

SCHEMBL3103771

COc1cccc(N2CCC(C(=O)N3CCCC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
KMT2A Q03164 4/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.56
MTNR1B P49286 1/20 0.56
TSHR P16473 2/20 0.54
CTSK P43235 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.52
GFER P55789 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL3103835 0.99 KMT2A (0.61) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3109916 0.99 KMT2A (0.61) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3098854 0.97 TP53 (0.61) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3109845 0.90 MAPT (0.62) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3096731 0.89 SMN1; SMN2 (0.60) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3099654 0.89 MAPT (0.61) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3098653 0.84 SMN1; SMN2 (0.56) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3103780 0.84 NOTUM (0.63) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL3106659 0.84 TSHR (0.51) TP53MAPTSMN1; SMN2CA12CA1
SCHEMBL5798727 0.83 NOTUM (0.59) TP53MAPTSMN1; SMN2CA12CA1

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 TP53 3738/4885MAPT 4524/4885SMN1; SMN2 4542/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 TP53 3738/4885MAPT 4524/4885SMN1; SMN2 4542/4885

“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.