Sugi Predict

Sugi Predict / Compounds / SCHEMBL3554138

SCHEMBL3554138

SCHEMBL3554138

CC(C)(C)[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.39
▸ ALDH1A1 P00352 8/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPK1 P28482 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ KCNJ1 P48048 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL377869 0.84 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL377528 0.84 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL377823 0.76 LMNA (0.44) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL377467 0.76 LMNA (0.44) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL19095511 0.75 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL2004447 0.75 KCNJ1 (0.41) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL1632683 0.75 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL377425 0.74 RAB9A (0.40) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL377693 0.74 RAB9A (0.40) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL1365235 0.74 CHRM3 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 — — US disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 — — US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 — — US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 — — 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-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 KDM4E 2013/4885ALDH1A1 3721/4885SMN1; SMN2 3150/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 KDM4E 4443/4885ALDH1A1 839/4885SMN1; SMN2 1860/4885

“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.