SCHEMBL11954293

SCHEMBL11954293

COC(=O)C1(Cc2cccc(OC)c2)CCN1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 5/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP13 P45452 1/20 0.45
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44

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
SCHEMBL14893258 0.95 NPC1 (0.46) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL11954298 0.85 SSTR4 (0.44) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL20993879 0.85 SLC6A2 (0.47) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL11954278 0.83 TACR1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11953376 0.81 KCNH2 (0.45) MEN1KMT2AL3MBTL1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2084335 0.77 SLC6A2 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11955078 0.75 HRH3 (0.46) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL11953374 0.75 ALDH1A1 (0.41) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
Ethylene SCHEMBL11803926 0.73 MEN1 (0.52) MEN1KMT2AL3MBTL1LMNAALDH1A1
SCHEMBL5034456 0.73 LMNA (0.46) MEN1KMT2AL3MBTL1LMNAALDH1A1

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
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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 (2 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC MEN1 3061/4885KMT2A 3849/4885L3MBTL1 4017/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC MEN1 3061/4885KMT2A 3849/4885L3MBTL1 4017/4885

“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.