SCHEMBL5128744

SCHEMBL5128744

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=S)NC4CCCC4)CC3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 3/20 0.37
HTT P42858 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 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
SCHEMBL5123755 0.99 ALDH1A1 (0.42) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5115843 0.90 MAPT (0.46) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5131333 0.89 MAPT (0.47) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5130209 0.89 MAPT (0.47) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5124012 0.89 KDM4E (0.41) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5126072 0.88 KDM4E (0.43) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5126544 0.88 KDM4E (0.43) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5124828 0.87 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5129956 0.87 MAPT (0.52) ALDH1A1MAPTKDM4ENPSR1MCOLN3
SCHEMBL5012291 0.86 LMNA (0.38) ALDH1A1NPSR1MEN1KMT2ARAB9A

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 ALDH1A1 511/4885MAPT 161/4885KDM4E 4068/4885

“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.