SCHEMBL1982407

SCHEMBL1982407

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 8/20 0.40
OPRK1 P41145 7/20 0.40
OPRD1 P41143 4/20 0.40
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
MLNR O43193 2/20 0.38
PRKAA2 P54646 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 SCHEMBL841833 0.99 GALR3 (0.40) ABCB1GALR3RAB9AOPRM1OPRK1
SCHEMBL1982706 0.96 GALR3 (0.41) ABCB1GALR3RAB9AOPRM1OPRK1
Hydrochloric Acid SCHEMBL842059 0.95 GALR3 (0.40) ABCB1GALR3RAB9AOPRM1OPRK1
SCHEMBL1984027 0.95 MLNR (0.39) ABCB1GALR3RAB9AOPRM1OPRK1
SCHEMBL862867 0.95 KCNH2 (0.39) ABCB1GALR3RAB9AOPRM1OPRK1
SCHEMBL1981521 0.94 GALR3 (0.43) ABCB1GALR3RAB9AUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL842359 0.94 KCNH2 (0.39) ABCB1GALR3RAB9AOPRM1OPRK1
Hydrochloric Acid SCHEMBL842556 0.94 MLNR (0.39) ABCB1GALR3RAB9AOPRM1OPRK1
Hydrochloric Acid SCHEMBL841981 0.94 GALR3 (0.43) ABCB1GALR3RAB9AUBE2MDCUN1D1
SCHEMBL842802 0.92 KCNH2 (0.39) GALR3RAB9AOPRM1OPRK1OPRD1

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 ABCB1 912/4885GALR3 650/4885RAB9A 953/4885

“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.