SCHEMBL5115843

SCHEMBL5115843

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALOX12 P18054 1/20 0.45
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TRPV1 Q8NER1 8/20 0.40
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
PKM P14618 1/20 0.37
XBP1 P17861 1/20 0.37

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
SCHEMBL5130209 0.99 MAPT (0.47) MAPTLMNAHTTSMN1; SMN2ALOX12
SCHEMBL5131333 0.99 MAPT (0.47) MAPTLMNAHTTSMN1; SMN2ALOX12
SCHEMBL5128744 0.90 ALDH1A1 (0.43) MAPTLMNAHTTSMN1; SMN2ALOX12
SCHEMBL5123755 0.89 ALDH1A1 (0.42) MAPTLMNAHTTSMN1; SMN2ALOX12
SCHEMBL5117469 0.87 TRPV1 (0.44) LMNAALDH1A1TRPV1
SCHEMBL5129956 0.87 MAPT (0.52) MAPTLMNAHTTALOX12ALDH1A1
SCHEMBL5124012 0.87 KDM4E (0.41) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL5012908 0.86 LMNA (0.42) MAPTLMNAHTTSMN1; SMN2ALOX12
SCHEMBL5126072 0.86 KDM4E (0.43) MAPTLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5126544 0.86 KDM4E (0.43) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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 MAPT 161/4885LMNA 875/4885HTT 50/4885

“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.