SCHEMBL842031

SCHEMBL842031

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(=O)(=O)NC)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
UBE2M P61081 9/20 0.40
DCUN1D1 Q96GG9 9/20 0.40
DRD2 P14416 3/20 0.38
ADRA1A P35348 3/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PTBP1 P26599 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.37

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
Hydrochloric Acid SCHEMBL842939 0.99 MCHR1 (0.39) MCHR1UBE2MDCUN1D1DRD2ADRA1A
SCHEMBL1979727 0.93 UBE2M (0.40) UBE2MDCUN1D1MMP1MMP9MMP13
SCHEMBL841754 0.93 KCNH2 (0.44) MCHR1UBE2MDCUN1D1MMP1MMP9
Hydrochloric Acid SCHEMBL842901 0.93 CCR5 (0.40) UBE2MDCUN1D1MMP1MMP9MMP13
Hydrochloric Acid SCHEMBL842367 0.93 KCNH2 (0.43) MCHR1UBE2MDCUN1D1MMP1MMP9
SCHEMBL1982419 0.92 MCHR1 (0.39) MCHR1UBE2MDCUN1D1DRD2ADRA1A
Hydrochloric Acid SCHEMBL842152 0.91 MCHR1 (0.39) MCHR1UBE2MDCUN1D1DRD2ADRA1A
SCHEMBL14562613 0.91 UBE2M (0.36) MCHR1UBE2MDCUN1D1MMP1MMP9
SCHEMBL1980702 0.90 UBE2M (0.42) UBE2MDCUN1D1DRD2ADRA1ATHRB
Hydrochloric Acid SCHEMBL842098 0.90 UBE2M (0.36) MCHR1UBE2MDCUN1D1MMP1MMP9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 US claimed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US claimed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP claimed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US claimed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US claimed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP claimed
US-8604207-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-12-10 US disclosed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US disclosed
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-04 US disclosed
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 US disclosed
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 US disclosed
EP-2546234-A1 Nitrogeneous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-01-16 EP disclosed
US-8143404-B2 N-heterocycle urea compounds such as 5-([(butyl{1-[(2-methyl-6-{4-[(methylsulfonyl)amino]phenoxy)-3-pyridinyl)methyl]-4-piperidinyl}amino)carbonyl]amino)-2,4-difluorobenzamide; chemokine receptor CCR5 antagonists for various inflammatory diseases, autoimmune diseases, infectious diseases ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-27 US disclosed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-23 US disclosed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US disclosed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US disclosed
US-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-03-06 US disclosed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1790637-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP 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 (3 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-20080057074-A1 Nitrogenous Heterocylic Derivative and Medicine Containing the Same as an Active Ingredient CXCR3, CCR5, CCR1 MCHR1 3382/4885UBE2M 4144/4885DCUN1D1 3533/4885
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 MCHR1 3486/4885UBE2M 4238/4885DCUN1D1 3589/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 MCHR1 3486/4885UBE2M 4238/4885DCUN1D1 3589/4885

“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.