SCHEMBL1980798

SCHEMBL1980798

CCCCN(C(=O)Nc1cc(CO)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.42
UBE2M P61081 6/20 0.41
DCUN1D1 Q96GG9 6/20 0.41
MCHR1 Q99705 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PTBP1 P26599 1/20 0.41
DRD2 P14416 2/20 0.40
ADRA1A P35348 2/20 0.40
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
LTA4H P09960 1/20 0.39

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 SCHEMBL842753 0.99 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL1983080 0.92 CCR5 (0.40) CCR5UBE2MDCUN1D1MCHR1LMNA
Hydrochloric Acid SCHEMBL841481 0.92 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1LMNA
Hydrochloric Acid SCHEMBL1449779 0.91 CCR5 (0.43) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL1448587 0.89 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1LMNA
Hydrochloric Acid SCHEMBL1449792 0.89 CCR5 (0.42) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL30227264 0.89 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL1449911 0.89 PPARG (0.46) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL30227420 0.89 PPARG (0.46) CCR5UBE2MDCUN1D1MCHR1LMNA
SCHEMBL840901 0.89 CCR5 (0.41) CCR5UBE2MDCUN1D1MCHR1LMNA

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 4 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

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-20110152520-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 CCR5 2/4885UBE2M 4238/4885DCUN1D1 3589/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 CCR5 2/4885UBE2M 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.