SCHEMBL3049348

SCHEMBL3049348

CCCC1CCCC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
ATM Q13315 2/20 0.40
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BACE1 P56817 2/20 0.35
CTSD P07339 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MEN1 O00255 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL3740942 0.85 KMT2A (0.42) ALDH1A1KMT2AATMNR1H2CHRM2
SCHEMBL3046936 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AATMCHRM2CHRM1
SCHEMBL24365642 0.81 NR1H2 (0.39) ALDH1A1KMT2AATMNR1H2CHRM2
SCHEMBL3048729 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AATMCHRM2CHRM1
SCHEMBL25092185 0.78 NR1H2 (0.35) ALDH1A1KMT2ANR1H2CHRM2CHRM1
SCHEMBL16419550 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AATMCHRM2CHRM1
SCHEMBL14534856 0.77 NR1H2 (0.38) ALDH1A1KMT2ANR1H2CHRM2CHRM1
SCHEMBL5112488 0.77 NR1H2 (0.38) ALDH1A1KMT2ANR1H2CHRM2CHRM1
SCHEMBL29347970 0.77 DDB1 (0.33) ALDH1A1KMT2AATMNR1H2CHRM2
SCHEMBL12844406 0.75 ALDH1A1 (0.53) ALDH1A1KMT2ANR1H2BACE1CTSD

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
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US claimed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP claimed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO claimed
US-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders UCB PHARMA, S.A. (BE) 2010-09-02 US disclosed
EP-2152262-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB Pharma, S.A. (BE) 2010-02-17 EP disclosed
WO-2008132142-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 WO disclosed
WO-2008132139-A2 NEW HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF CNS DISORDERS UCB PHARMA S.A. (BE) 2008-11-06 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-20100222326-A1 New Heterocyclic Derivatives Useful For The Treatment of CNS Disorders CNR2, CNR1, SLC18A2 ALDH1A1 1186/4885KMT2A 1778/4885ATM 4178/4885

“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.