SCHEMBL1982919

SCHEMBL1982919

CCCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1F)C1CCN(Cc2ccc(Oc3ccc(S(C)(=O)=O)cc3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.39
GPR119 Q8TDV5 3/20 0.39
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.37
MOGAT2 Q3SYC2 2/20 0.36
MCHR1 Q99705 1/20 0.36
UBE2M P61081 2/20 0.35
DCUN1D1 Q96GG9 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CCR5 P51681 2/20 0.35
LTA4H P09960 1/20 0.35
PRKAA2 P54646 1/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
THRB P10828 1/20 0.35

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 SCHEMBL843150 0.99 KCNH2 (0.38) KCNH2GPR119GALR3RAB9ACYP3A4
SCHEMBL842802 0.99 KCNH2 (0.39) KCNH2GPR119GALR3RAB9ACYP3A4
Hydrochloric Acid SCHEMBL842519 0.98 KCNH2 (0.38) KCNH2GPR119GALR3RAB9ACYP3A4
SCHEMBL1983881 0.93 KCNH2 (0.39) KCNH2GPR119GALR3RAB9ACYP3A4
Hydrochloric Acid SCHEMBL842022 0.92 KCNH2 (0.38) KCNH2GPR119GALR3RAB9ACYP3A4
SCHEMBL1983221 0.92 GALR3 (0.40) GALR3RAB9AMOGAT2MCHR1UBE2M
SCHEMBL1979921 0.92 GALR3 (0.36) KCNH2GPR119GALR3RAB9AMOGAT2
SCHEMBL1982149 0.92 KCNH2 (0.36) KCNH2GPR119GALR3RAB9AMCHR1
Hydrochloric Acid SCHEMBL843040 0.92 GALR3 (0.40) GALR3RAB9AMOGAT2MCHR1UBE2M
SCHEMBL1984868 0.92 GALR3 (0.40) GALR3RAB9AMOGAT2MCHR1UBE2M

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410276-B2 Nitrogenous heterocyclic derivative and medicine containing the same as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2013-04-02 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 (1 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 KCNH2 4002/4885GPR119 84/4885GALR3 650/4885

“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.