SCHEMBL5012215

SCHEMBL5012215

COc1cccc(C2=NOC3(CCN(C=CC(=O)c4ccc(C(C)(C)C)nc4)CC3)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 4/20 0.39
LMNA P02545 3/20 0.39
RAB9A P51151 3/20 0.38
GRK2 P25098 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5012926 0.90 KMT2A (0.40) PKMHTTPOLBMAPTALDH1A1
SCHEMBL5012767 0.88 MAPT (0.43) RECQLPKMHTTTDP1POLB
SCHEMBL5011246 0.86 MAPT (0.38) HTTTDP1MAPTALDH1A1USP2
SCHEMBL5130774 0.81 NPC1 (0.41) HTTTDP1CYP1A2CYP3A4CYP2C9
SCHEMBL5014491 0.77 KMT2A (0.46) PKMPOLBMAPTALDH1A1USP2
SCHEMBL5014418 0.76 CA1 (0.43) RECQLPKMTDP1POLBMAPT
SCHEMBL5011078 0.75 USP2 (0.47) POLBMAPTALDH1A1USP2ALOX12
SCHEMBL5014503 0.75 ALDH1A1 (0.42) HTTPOLBMAPTALDH1A1USP2
SCHEMBL5015766 0.75 HTT (0.48) RECQLHTTTDP1POLBAPEX1
SCHEMBL5011232 0.74 KMT2A (0.41) PKMHTTPOLBMAPTALDH1A1

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 8 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US disclosed
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 RECQL 3349/4885PKM 3108/4885HTT 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.