SCHEMBL4540180

SCHEMBL4540180

CC(C)(C)OC(=O)N1CCCc2[nH]c3ccccc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.59
BAZ2B Q9UIF8 1/20 0.59
TRPV1 Q8NER1 3/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 1/20 0.52
FAAH O00519 2/20 0.51
KDR P35968 1/20 0.51
CASP1 P29466 3/20 0.50
ATM Q13315 2/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 3/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CHRNA7 P36544 1/20 0.49
CASP7 P55210 2/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL29357331 0.93 MAPT (0.69) MAPTLMNABAZ2BTRPV1ALDH1A1
SCHEMBL2241936 0.93 MAPT (0.69) MAPTLMNABAZ2BTRPV1ALDH1A1
Acetic Acid SCHEMBL8714196 0.90 MAPT (0.68) MAPTLMNABAZ2BTRPV1ALDH1A1
SCHEMBL21154454 0.87 LMNA (0.55) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL350201 0.86 TRPV1 (0.69) MAPTLMNABAZ2BTRPV1FAAH
SCHEMBL10127719 0.85 LMNA (0.66) MAPTLMNABAZ2BALDH1A1KDM4E
SCHEMBL1006826 0.84 BAZ2B (0.51) MAPTLMNABAZ2BALDH1A1KDR
SCHEMBL10127727 0.84 BAZ2B (0.62) MAPTLMNABAZ2BALDH1A1KDM4E
SCHEMBL6474214 0.84 LMNA (0.60) MAPTLMNABAZ2BTRPV1KDM4E
Acetic Acid SCHEMBL8718251 0.83 TRPV1 (0.68) MAPTLMNABAZ2BTRPV1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2637503-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2013-09-18 EP claimed
WO-2012064680-A1 SELECTIVE GLYCOSIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2012-05-18 WO claimed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP claimed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC MAPT 4749/4885LMNA 2065/4885BAZ2B 428/4885

“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.