SCHEMBL3109916

SCHEMBL3109916

COc1cccc(N2CCC(C(=O)N3CCCCCC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
MTNR1B P49286 1/20 0.55
POLB P06746 2/20 0.54
HSP90AA1 P07900 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 1/20 0.53
CTSK P43235 1/20 0.53

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 1.00 KMT2A (0.61) KMT2AMEN1TP53MAPTCA12
SCHEMBL3103771 0.99 TP53 (0.61) KMT2AMEN1TP53MAPTCA12
SCHEMBL3098854 0.96 TP53 (0.61) KMT2AMEN1TP53MAPTCA12
SCHEMBL3109845 0.89 MAPT (0.62) KMT2AMEN1TP53MAPTCA12
SCHEMBL3099654 0.88 MAPT (0.61) KMT2AMEN1TP53MAPTCA12
SCHEMBL3096731 0.88 SMN1; SMN2 (0.60) KMT2AMEN1TP53MAPTCA12
SCHEMBL3095246 0.84 NOTUM (0.61) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL3092103 0.84 NOTUM (0.61) KMT2AMEN1TP53MAPTSMN1; SMN2
SCHEMBL3098653 0.83 SMN1; SMN2 (0.56) KMT2AMEN1TP53MAPTCA12
SCHEMBL3103780 0.83 NOTUM (0.63) KMT2ATP53MAPTCA12CA1

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 KMT2A 4504/4885MEN1 4598/4885TP53 3738/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 KMT2A 4504/4885MEN1 4598/4885TP53 3738/4885

“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.