SCHEMBL5124118

SCHEMBL5124118

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=S)NCC4CCCCC4)CC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 2/20 0.36
KCNH2 Q12809 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
POLB P06746 1/20 0.34
CNR2 P34972 2/20 0.33
EP300 Q09472 1/20 0.33
CNR1 P21554 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL5130345 0.91 SMN1; SMN2 (0.37) KMT2AMEN1RAB9APOLB
SCHEMBL5121433 0.90 ALDH1A1 (0.40) KMT2AMEN1RAB9ACNR1NPC1
SCHEMBL5127230 0.88 KMT2A (0.43) KMT2AMEN1RAB9APOLBCNR1
SCHEMBL5117704 0.88 POLB (0.42) KMT2AMEN1RAB9APOLB
SCHEMBL5012239 0.87 KMT2A (0.37) KMT2AMEN1KCNH2CACNA1IPOLB
SCHEMBL5123755 0.86 ALDH1A1 (0.42) KMT2AMEN1RAB9APOLBCNR2
SCHEMBL5128744 0.85 ALDH1A1 (0.43) KMT2AMEN1RAB9APOLB
SCHEMBL5124197 0.80 PDGFRB (0.41) RAB9ANPC1
SCHEMBL5015803 0.78 KMT2A (0.34) KMT2AMEN1
SCHEMBL5124828 0.78 MEN1 (0.44) KMT2AMEN1RAB9APOLBCNR2

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 KMT2A 4006/4885MEN1 1834/4885RAB9A 2540/4885

“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.