SCHEMBL1981309

SCHEMBL1981309

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.42
DCUN1D1 Q96GG9 8/20 0.40
UBE2M P61081 7/20 0.40
MCHR1 Q99705 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
LTA4H P09960 1/20 0.38
TP53 P04637 1/20 0.38

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 SCHEMBL842244 0.99 CCR5 (0.43) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1449646 0.96 CCR5 (0.42) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
SCHEMBL30227464 0.91 DCUN1D1 (0.46) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
SCHEMBL1449081 0.91 DCUN1D1 (0.46) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1449028 0.91 DCUN1D1 (0.46) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1448409 0.90 MCHR1 (0.42) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
Hydrochloric Acid SCHEMBL1449779 0.88 CCR5 (0.43) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
SCHEMBL1984464 0.88 DCUN1D1 (0.44) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
SCHEMBL1449911 0.88 PPARG (0.46) CCR5DCUN1D1UBE2MMCHR1ALDH1A1
SCHEMBL30227420 0.88 PPARG (0.46) CCR5DCUN1D1UBE2MMCHR1ALDH1A1

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