SCHEMBL5124310

SCHEMBL5124310

COc1cccc(C2=NOC3(CCN(C(=O)Nc4ccccc4SC)CC3)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HCRTR1 O43613 1/20 0.50
HPGD P15428 1/20 0.50
NPY5R Q15761 1/20 0.49
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.42
POLB P06746 2/20 0.41
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5131274 0.89 NPY5R (0.50) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5121848 0.89 HSD17B10 (0.56) LMNAKMT2AMEN1HSD17B10NPY5R
SCHEMBL5121005 0.89 FAAH (0.50) LMNAKMT2AMEN1NPY5RFAAH
SCHEMBL5131342 0.88 NPY5R (0.49) LMNAKMT2ANPC1RAB9AHSD17B10
SCHEMBL5119954 0.88 KMT2A (0.58) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5129054 0.88 NPY5R (0.49) LMNAKMT2ANPC1RAB9AHSD17B10
SCHEMBL5014393 0.88 LMNA (0.54) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5124347 0.88 NPY5R (0.49) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5126816 0.87 NPY5R (0.48) LMNAKMT2AMEN1NPC1RAB9A
SCHEMBL5120146 0.87 HTT (0.49) LMNAKMT2ANPC1RAB9AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
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 LMNA 875/4885KMT2A 4006/4885MEN1 1834/4885

“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.