SCHEMBL5129879

SCHEMBL5129879

COc1cccc(NC(=S)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.49
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDGFRB P09619 1/20 0.41

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
SCHEMBL5128862 0.91 LMNA (0.51) NPY2RLMNAALDH1A1MAPTKDM4E
SCHEMBL5126596 0.90 SMN1; SMN2 (0.56) LMNAMAPTHTTKDM4EMAPK1
SCHEMBL5130429 0.89 RAB9A (0.52) NPY2RLMNAALDH1A1MAPTHTT
SCHEMBL5124768 0.89 MAPT (0.53) NPY2RLMNAALDH1A1MAPTHTT
SCHEMBL5130556 0.89 MEN1 (0.55) NPY2RLMNAALDH1A1MAPTKDM4E
SCHEMBL5117471 0.89 ALDH1A1 (0.51) NPY2RLMNAALDH1A1MAPTHTT
SCHEMBL5128901 0.89 HTT (0.48) NPY2RLMNAALDH1A1MAPTHTT
SCHEMBL5012872 0.88 KDM4E (0.41) NPY2RLMNAMAPTHTTKDM4E
SCHEMBL5124924 0.86 NPY2R (0.50) NPY2RLMNAALDH1A1MAPTKDM4E
SCHEMBL5125662 0.86 LMNA (0.53) LMNAMAPTKDM4EMEN1KMT2A

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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI NPY2R 1996/4885LMNA 875/4885ALDH1A1 511/4885

“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.