SCHEMBL842452

SCHEMBL842452

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.39
TP53 P04637 2/20 0.38
UBE2M P61081 7/20 0.38
DCUN1D1 Q96GG9 7/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.37
PTBP1 P26599 1/20 0.37
DRD2 P14416 1/20 0.36
ADRA1A P35348 1/20 0.36
THRB P10828 1/20 0.36
CCR5 P51681 2/20 0.36

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 SCHEMBL842273 0.99 MCHR1 (0.39) MCHR1TP53UBE2MDCUN1D1LMNA
SCHEMBL1983004 0.94 MCHR1 (0.39) MCHR1TP53UBE2MDCUN1D1LMNA
SCHEMBL1981333 0.94 MCHR1 (0.43) MCHR1TP53UBE2MDCUN1D1LMNA
Hydrochloric Acid SCHEMBL842500 0.93 MCHR1 (0.43) MCHR1TP53UBE2MDCUN1D1LMNA
SCHEMBL1981225 0.93 UBE2M (0.39) MCHR1UBE2MDCUN1D1LMNAALDH1A1
Hydrochloric Acid SCHEMBL842968 0.93 MCHR1 (0.39) MCHR1TP53UBE2MDCUN1D1LMNA
SCHEMBL1448587 0.93 CCR5 (0.41) MCHR1TP53UBE2MDCUN1D1LMNA
SCHEMBL30227264 0.93 CCR5 (0.41) MCHR1TP53UBE2MDCUN1D1LMNA
Hydrochloric Acid SCHEMBL841487 0.92 UBE2M (0.39) MCHR1UBE2MDCUN1D1LMNAALDH1A1
SCHEMBL1982835 0.92 UBE2M (0.39) MCHR1TP53UBE2MDCUN1D1LMNA

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 14 patents. 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-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-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

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 3382/4885TP53 352/4885UBE2M 4144/4885
US-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 MCHR1 3486/4885TP53 369/4885UBE2M 4238/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 MCHR1 3486/4885TP53 369/4885UBE2M 4238/4885

“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.