SCHEMBL3109816

SCHEMBL3109816

Cc1cccc(N2CCC(C(=O)N3CCOCC3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ NOTUM Q6P988 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MAPT P10636 4/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ HTT P42858 2/20 0.51
▸ GPR119 Q8TDV5 1/20 0.51
▸ HPGDS O60760 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ AKR1C3 P42330 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SLC6A9 P48067 1/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.47

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
SCHEMBL3095131 0.88 NOTUM (0.63) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3103780 0.88 NOTUM (0.63) KMT2ANOTUMALDH1A1SMN1; SMN2MAPT
SCHEMBL3095246 0.87 NOTUM (0.61) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3092103 0.87 NOTUM (0.61) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3103335 0.86 NOTUM (0.60) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL33261 0.85 AKR1C3 (0.64) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3099654 0.85 MAPT (0.61) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3095110 0.85 NOTUM (0.59) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3103326 0.84 MAPT (0.60) KMT2AMEN1NOTUMALDH1A1SMN1; SMN2
SCHEMBL3109609 0.83 MAPT (0.67) KMT2AMEN1NOTUMALDH1A1SMN1; 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 KMT2A 4504/4885MEN1 4598/4885NOTUM 3958/4885
US-20100256359-A1 HETERO ISONIPECOTIC MODULATORS OF VANILLOID VR1 RECEPTOR VDAC1, HVCN1, TRPV1 KMT2A 4504/4885MEN1 4598/4885NOTUM 3958/4885

“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.

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