SCHEMBL19544482

SCHEMBL19544482

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.50
▸ MMP12 P39900 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CES1 P23141 2/20 0.47
▸ WNT3A P56704 1/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ LTB4R Q15722 1/20 0.46
▸ NR4A2 P43354 1/20 0.45
▸ HPGDS O60760 1/20 0.45
▸ HDAC1 Q13547 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
SCHEMBL19544342 0.82 FFAR1 (0.54) FFAR1MMP12NPC1NFKB1RAB9A
SCHEMBL19544320 0.80 MMP12 (0.47) FFAR1MMP12NPC1NFKB1RAB9A
SCHEMBL11695487 0.78 HDAC2 (0.67) FFAR1MMP12SMN1; SMN2HDAC2HDAC1
SCHEMBL12251221 0.78 MKNK1 (0.58) MMP12WNT3A
SCHEMBL10094799 0.77 HDAC1 (0.70) FFAR1HDAC2HDAC1
SCHEMBL353132 0.77 HDAC2 (0.68) FFAR1NPC1RAB9ASMN1; SMN2HDAC2
SCHEMBL14643880 0.77 HDAC2 (0.74) FFAR1MMP12HDAC2HDAC1
SCHEMBL7796725 0.76 FFAR1 (0.54) FFAR1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL30916851 0.76 HDAC2 (0.66) FFAR1NPC1RAB9ASMN1; SMN2HDAC2
SCHEMBL14387746 0.75 HDAC1 (0.53) FFAR1HDAC2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10259823-B2 GLP-1 receptor modulators CELGENE INTERNATIONAL II SÀRL (CH) 2019-04-16 — — US disclosed
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 (2 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 104/4885MMP12 4516/4885NPC1 2943/4885
US-10259823-B2 GLP-1 receptor modulators GLP1R, GIPR, GCGR FFAR1 105/4885MMP12 4447/4885NPC1 3058/4885

“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.

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