SCHEMBL5205724

SCHEMBL5205724

CC(C)(C)OC(=O)N1CCC(C#N)(Cc2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MET P08581 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
NR3C2 P08235 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
OPRK1 P41145 2/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIGMAR1 Q99720 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
SCHEMBL7832066 0.85 GPR119 (0.47) MAPTGPR119OPRK1TACR1OPRD1
SCHEMBL5207400 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL29453778 0.84 JAK1 (0.48) GPR119OPRK1TACR1OPRD1PKM
SCHEMBL22719338 0.84 JAK1 (0.48) GPR119OPRK1TACR1OPRD1PKM
SCHEMBL29453763 0.84 SMN1; SMN2 (0.47) L3MBTL1GPR119OPRK1TACR1OPRD1
SCHEMBL5811135 0.83 OPRD1 (0.49) GPR119OPRK1TACR1OPRD1KDM4E
SCHEMBL22719208 0.82 TACR1 (0.52) ALDH1A1MAPTGPR119OPRK1TACR1
SCHEMBL22719198 0.81 HRH3 (0.42) GPR119OPRK1TACR1OPRD1SMN1; SMN2
SCHEMBL7840126 0.81 MEN1 (0.50) ALDH1A1LMNAMAPTL3MBTL1KDM4E
SCHEMBL27162215 0.80 ALDH1A1 (0.53) ALDH1A1LMNAMAPTMETL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480972-B1 COMPOUNDS POSSESSING AFFINITY AT 5HT1-TYPE RECEPTORS AND USE THEREOF IN THERAPY OF CNS DISORDERS GLAXO GROUP LTD (GB) 2007-04-11 EP disclosed
US-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders GLAXO GROUP LIMITED (GB) 2005-05-19 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-20050107410-A1 Compound possessing affinity at 5ht1-type receptors and use thereof in therapy of cns disorders CNR1, HTR5A, HTR1A ALDH1A1 1144/4885LMNA 2021/4885MAPT 4152/4885

“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.