SCHEMBL2250474

SCHEMBL2250474

CC#CCN(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 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
MLNR O43193 2/20 0.34
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
MCHR1 Q99705 1/20 0.33
P2RX3 P56373 1/20 0.33
TP53 P04637 2/20 0.33
PRKAA2 P54646 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
LMNA P02545 1/20 0.33
ABCB1 P08183 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
SCHEMBL2254011 0.92 GALR3 (0.41) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL1981244 0.92 LTA4H (0.38) UBE2MDCUN1D1MCHR1TP53LMNA
Hydrochloric Acid SCHEMBL842432 0.92 LTA4H (0.37) UBE2MDCUN1D1MCHR1TP53LMNA
SCHEMBL2252411 0.90 GALR3 (0.41) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL2253110 0.90 GALR3 (0.41) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL2249391 0.89 GALR3 (0.41) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL842640 0.89 GALR3 (0.40) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL1983221 0.89 GALR3 (0.40) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL1981706 0.89 GALR3 (0.45) GALR3RAB9AOPRM1OPRD1OPRK1
SCHEMBL2251881 0.89 GALR3 (0.40) GALR3RAB9AOPRM1OPRD1OPRK1

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-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US claimed
US-8003642-B2 Nitrogenated heterocyclic derivative, and pharmaceutical agent comprising the derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 US disclosed
US-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed

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-20090131403-A1 NITROGENATED HETEROCYCLIC DERIVATIVE , AND PHARMACEUTICAL AGENT COMPRISING THE DERIVATIVE AS ACTIVE INGREDIENT CXCR3, CCR5, HLA-DRB1 GALR3 1460/4885RAB9A 1456/4885OPRM1 433/4885

“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.