SCHEMBL3521372

SCHEMBL3521372

Cc1n[nH]c(=O)n1CCOCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.45
LTA4H P09960 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TEAD3 Q99594 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
TSHR P16473 1/20 0.39
TK1 P04183 1/20 0.39

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
SCHEMBL14761683 0.79 CYP1A2 (0.40) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL12692930 0.79 KDM4E (0.66) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL13903624 0.76 KMT2A (0.47) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL13903092 0.75 TDP1 (0.49) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL13913066 0.75 HRH4 (0.49) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL3519881 0.75 MEN1 (0.46) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL2513747 0.75 TSHR (0.47) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL22322658 0.74 KMT2A (0.44) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL30942809 0.72 L3MBTL1 (0.41) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL31524170 0.71 ALDH1A1 (0.48) NPC1RAB9AL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 NPC1 366/4885RAB9A 1326/4885L3MBTL1 3174/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 NPC1 366/4885RAB9A 1326/4885L3MBTL1 3174/4885

“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.