SCHEMBL5126544

SCHEMBL5126544

Cc1ccc(C2=NOC3(CCN(C(=S)NC4CCCCCCC4)CC3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
S1PR1 P21453 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5126072 1.00 KDM4E (0.43) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5124012 0.99 KDM4E (0.41) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5121243 0.90 MAPT (0.51) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5119667 0.90 MAPT (0.51) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5128794 0.89 ALDH1A1 (0.48) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5125997 0.89 ALDH1A1 (0.48) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5123755 0.89 ALDH1A1 (0.42) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5129956 0.88 MAPT (0.52) KDM4EMAPTNPSR1MCOLN3MEN1
SCHEMBL5128744 0.88 ALDH1A1 (0.43) KDM4EMAPTNPSR1MCOLN3POLB
SCHEMBL5124905 0.88 LMNA (0.53) KDM4EMAPTMEN1KMT2ALMNA

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 KDM4E 4068/4885MAPT 161/4885NPSR1 77/4885

“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.