SCHEMBL1985681

SCHEMBL1985681

CCCCN(C(=O)Nc1cc(C(N)=O)c(F)cc1Cl)C1CCN(Cc2ccc(Oc3ccc(S(C)(=O)=O)cc3Cl)nc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.37
MCHR1 Q99705 4/20 0.37
GPR119 Q8TDV5 3/20 0.37
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
UBE2M P61081 7/20 0.35
DCUN1D1 Q96GG9 7/20 0.35
SSTR5 P35346 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PTBP1 P26599 1/20 0.34
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33

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 SCHEMBL842838 0.99 MCHR1 (0.37) KCNH2MCHR1GPR119GALR3RAB9A
SCHEMBL1981132 0.95 KCNH2 (0.37) KCNH2MCHR1GPR119GALR3RAB9A
Hydrochloric Acid SCHEMBL842999 0.94 MCHR1 (0.37) KCNH2MCHR1GPR119GALR3RAB9A
SCHEMBL1982940 0.93 MCHR1 (0.36) KCNH2MCHR1GPR119GALR3RAB9A
SCHEMBL1983881 0.93 KCNH2 (0.39) KCNH2MCHR1GPR119GALR3RAB9A
Hydrochloric Acid SCHEMBL842599 0.93 MCHR1 (0.36) KCNH2MCHR1GPR119GALR3RAB9A
Hydrochloric Acid SCHEMBL842022 0.93 KCNH2 (0.38) KCNH2MCHR1GPR119GALR3RAB9A
SCHEMBL1979961 0.92 MCHR1 (0.44) MCHR1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842197 0.91 MCHR1 (0.43) MCHR1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL1982349 0.90 KCNH2 (0.36) KCNH2MCHR1GPR119GALR3RAB9A

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 4002/4885MCHR1 3486/4885GPR119 84/4885

“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.