SCHEMBL1983221

SCHEMBL1983221

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
UBE2M P61081 5/20 0.37
DCUN1D1 Q96GG9 5/20 0.37
MCHR1 Q99705 2/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 3/20 0.36
OPRK1 P41145 3/20 0.36
CCR5 P51681 3/20 0.35
MOGAT2 Q3SYC2 2/20 0.35
TP53 P04637 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
SCHEMBL1984868 0.99 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL843040 0.99 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL841560 0.99 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL842640 0.99 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL842768 0.98 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL2253110 0.96 GALR3 (0.41) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1980610 0.95 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
Hydrochloric Acid SCHEMBL842252 0.94 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL843319 0.94 GALR3 (0.40) GALR3RAB9AUBE2MDCUN1D1MCHR1
SCHEMBL1983289 0.93 GALR3 (0.39) GALR3RAB9AUBE2MDCUN1D1MCHR1

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 GALR3 650/4885RAB9A 953/4885UBE2M 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.