SCHEMBL2209017

SCHEMBL2209017

C=C1CCC(C(C)(C)CC)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 2/20 0.36
SLC2A1 P11166 1/20 0.35
GAA P10253 6/20 0.35
POLB P06746 1/20 0.35
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CES2 O00748 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL112039 0.77 SLC2A1 (0.41) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL2151480 0.77
SCHEMBL1634068 0.75 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL26115241 0.72 ALDH1A1 (0.47) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL10804389 0.72 GCGR (0.37) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL27756281 0.72
SCHEMBL8759751 0.72 KDM4E (0.38) MAPTALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL10779826 0.71 LMNA (0.47) LMNACES2
SCHEMBL9959956 0.71 KDM4E (0.35) MAPTALDH1A1KDM4ESMN1; SMN2HTT
Cyclohexanone SCHEMBL3913013 0.71 ALDH1A1 (0.42) MAPTALDH1A1KDM4ESMN1; SMN2HTT

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
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
EP-1888542-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP disclosed
WO-2006136245-A1 SUBSTITUTED SPIRO-COMPOUNDS AND THE USE THEREOF FOR PRODUCING MEDICAMENTS Grünenthal GmbH (DE) 2006-12-28 WO 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 MAPT 4038/4885ALDH1A1 218/4885KDM4E 3501/4885

“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.