SCHEMBL2207771

SCHEMBL2207771

CCOC(=O)C1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2208848 0.86 ALDH1A1 (0.48) KDM4ERAB9AMEN1KMT2ANPSR1
SCHEMBL4619940 0.84 CHRNB4 (0.41) KDM4ERAB9AKMT2ACHRNB4CHRNA3
SCHEMBL2208234 0.82 CHRNB4 (0.47) RAB9AKMT2ACHRNB4CHRNA3NPC1
SCHEMBL2209509 0.80 CHRNB4 (0.45) KDM4ECHRNB4CHRNA3ATMSMN1; SMN2
SCHEMBL2209867 0.80 MAPT (0.41) KDM4EMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4620562 0.77 CHRNB4 (0.44) KMT2ACHRNB4CHRNA3ALDH1A1CYP1A2
SCHEMBL17051307 0.75 SMN1; SMN2 (0.48) KDM4ERAB9ANPSR1ATMNPC1
SCHEMBL28788636 0.74 SMN1; SMN2 (0.46) KDM4ERAB9ANPSR1NPC1SMN1; SMN2
SCHEMBL175839 0.73 HSD11B1 (0.37) KDM4EMEN1KMT2ANPC1ALDH1A1
SCHEMBL2211286 0.73 VCP (0.45) RAB9ANPSR1NPC1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-7981883-B2 Substituted spiro-compounds and the use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-07-19 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 KDM4E 3501/4885RAB9A 3490/4885MEN1 596/4885

“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.