SCHEMBL3092126

SCHEMBL3092126

O=C(C1CCN(c2cccc(-c3ccccc3)c2)CC1)N1CCC(O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 5/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP1A2 P05177 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP2D6 P10635 3/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
NOTUM Q6P988 3/20 0.45
HTR1A P08908 1/20 0.45
HTR7 P34969 1/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 4/20 0.44
RUVBL1 Q9Y265 1/20 0.44
TP53 P04637 1/20 0.43
CNR1 P21554 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 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
SCHEMBL3092140 0.93 SMN1; SMN2 (0.51) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3108914 0.85 KMT2A (0.56) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3106854 0.85 KMT2A (0.60) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3103791 0.84 KMT2A (0.59) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3099046 0.84 KMT2A (0.59) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3103326 0.81 MAPT (0.60) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3101132 0.81 SMN1; SMN2 (0.48) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3099696 0.81 USP2 (0.64) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL5799181 0.80 NOTUM (0.59) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6
SCHEMBL3092339 0.80 DPP4 (0.47) USP2HSD17B10CYP1A2SMN1; SMN2CYP2D6

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.