SCHEMBL19544342

SCHEMBL19544342

NC(=O)CCc1ccc(-c2ncc(-c3ccccc3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.54
▸ NPC1 O15118 2/20 0.53
▸ NFKB1 P19838 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CES1 P23141 3/20 0.50
▸ MMP12 P39900 1/20 0.49
▸ FAAH O00519 1/20 0.46
▸ NCEH1 Q6PIU2 1/20 0.46
▸ HIF1A Q16665 1/20 0.45

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
SCHEMBL17080263 0.88 HPGDS (0.49) FFAR1NPC1NFKB1RAB9ANFKB2
SCHEMBL5801662 0.86 FFAR1 (0.71) FFAR1CES1MMP12
SCHEMBL19544482 0.82 FFAR1 (0.50) FFAR1NPC1NFKB1RAB9ANFKB2
SCHEMBL20426084 0.78 RARB (0.53) NPC1RAB9ASMN1; SMN2
SCHEMBL11262500 0.77 FFAR1 (0.63) FFAR1NPC1RAB9ASMN1; SMN2MMP12
SCHEMBL7796725 0.77 FFAR1 (0.54) FFAR1NPC1RAB9ASMN1; SMN2
SCHEMBL17080177 0.76 FFAR1 (0.44) FFAR1CES1MMP12
SCHEMBL27396759 0.76 HDAC2 (0.68) FFAR1SMN1; SMN2MMP12
SCHEMBL19544320 0.76 MMP12 (0.47) FFAR1NPC1NFKB1RAB9ANFKB2
SCHEMBL5020712 0.75 FFAR1 (0.69) FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS RECEPTOS LLC 2017-11-02 — — 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-20170313717-A1 NOVEL GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, NPY1R FFAR1 104/4885NPC1 2943/4885NFKB1 3726/4885

“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.

Send feedback