SCHEMBL5012829

SCHEMBL5012829

CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 2/20 0.50
ALOX15 P16050 1/20 0.50
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.41
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACACB O00763 1/20 0.40
ACACA Q13085 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
SCHEMBL5120120 0.96 KMT2A (0.47) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL5012873 0.94 MEN1 (0.51) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL16175483 0.88 RAB9A (0.37) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL5015766 0.86 HTT (0.48) HTTALDH1A1ABL1BCRLMNA
SCHEMBL5115805 0.85 GPR119 (0.46) HTTSMN1; SMN2
SCHEMBL5124242 0.85 SSTR5 (0.41) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL5130874 0.83 TRPV1 (0.48) ALDH1A1EPHX2NPSR1
SCHEMBL5124244 0.82 DHODH (0.40) MEN1KMT2AHTTABL1BCR
SCHEMBL5129522 0.82 KMT2A (0.41) MEN1KMT2ASMN1; SMN2ABL1BCR
SCHEMBL5129547 0.81 NPC1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1HPGD

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 7 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-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 MEN1 1834/4885KMT2A 4006/4885HTT 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.