SCHEMBL3046235

SCHEMBL3046235

O=C1CCCCN1Cn1c(-c2ccccc2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
PER2 O15055 4/20 0.43
KDM4E B2RXH2 1/20 0.41
APP P05067 1/20 0.40
KCNH2 Q12809 1/20 0.39
PTGS2 P35354 1/20 0.39
NTRK1 P04629 1/20 0.38
NTRK3 Q16288 1/20 0.38
BACE1 P56817 2/20 0.38
ACHE P22303 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
SCHEMBL3046672 0.87 PER2 (0.47) L3MBTL1KMT2APER2PTGS2NTRK1
SCHEMBL2332336 0.72 L3MBTL1 (0.44) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL11699137 0.71 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL11557883 0.69 ALDH1A1 (0.55) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL16619184 0.68 L3MBTL1 (0.63) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL31413549 0.68 GRIK1 (0.65) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL1171837 0.68 GRIK1 (0.65) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL6689677 0.67 L3MBTL1 (1.00) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL4887683 0.67 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2AMTNR1AMTNR1B
SCHEMBL24938208 0.66 L3MBTL1 (0.84) L3MBTL1KMT2AKCNH2ACHE

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-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-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

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 L3MBTL1 4838/4885ALDH1A1 1186/4885KMT2A 1778/4885

“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.