SCHEMBL1986315

SCHEMBL1986315

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(C(=O)OC)cc3OC)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LMNA P02545 1/20 0.40
UBE2M P61081 5/20 0.39
DCUN1D1 Q96GG9 5/20 0.39
CTSD P07339 1/20 0.38
MCHR1 Q99705 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ACHE P22303 1/20 0.37
QPCT Q16769 1/20 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 SCHEMBL841532 0.99 LPAR1 (0.40) LPAR1LPAR5LMNAUBE2MDCUN1D1
SCHEMBL1982030 0.96 LMNA (0.40) LMNAUBE2MDCUN1D1CTSDMCHR1
Hydrochloric Acid SCHEMBL842985 0.95 LMNA (0.40) LMNAUBE2MDCUN1D1CTSDMCHR1
SCHEMBL1984923 0.95 LMNA (0.41) LPAR1LPAR5LMNAUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842893 0.94 LMNA (0.41) LPAR1LPAR5LMNAUBE2MDCUN1D1
SCHEMBL1986917 0.91 MCHR1 (0.40) LMNAMCHR1POLBALDH1A1ACHE
SCHEMBL1985317 0.90 KDM4E (0.40) LMNACTSDALDH1A1
Hydrochloric Acid SCHEMBL842005 0.90 MCHR1 (0.39) LMNAMCHR1POLBALDH1A1ACHE
Hydrochloric Acid SCHEMBL843171 0.90 KDM4E (0.40) LMNACTSDALDH1A1
SCHEMBL1980702 0.89 UBE2M (0.42) LMNAUBE2MDCUN1D1ALDH1A1

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 LPAR1 1370/4885LPAR5 1033/4885LMNA 4841/4885
US-20130085275-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE AND MEDICINE CONTAINING THE SAME AS AN ACTIVE INGREDIENT CXCR3, CCR5, CCR1 LPAR1 1370/4885LPAR5 1033/4885LMNA 4841/4885

“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.