SCHEMBL3524253

SCHEMBL3524253

Cn1c(CCCOCc2ccccc2)nc(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TEAD3 Q99594 1/20 0.39
TSHR P16473 1/20 0.38
PKM P14618 1/20 0.37

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
SCHEMBL13913066 0.77 HRH4 (0.49) HRH3HRH4MAOAMAOBL3MBTL1
SCHEMBL3524697 0.75 ADORA1 (0.43) HRH3HRH4MAOAMAOBL3MBTL1
SCHEMBL13903624 0.72 KMT2A (0.47) HRH3HRH4L3MBTL1TDP1ALDH1A1
SCHEMBL4069939 0.71 TDP1 (0.64) HRH3HRH4L3MBTL1TDP1MEN1
SCHEMBL13133688 0.70 HRH4 (0.45) HRH3HRH4MAOAMAOBL3MBTL1
SCHEMBL14974668 0.70 LMNA (0.43) HRH3HRH4MAOAMAOBL3MBTL1
SCHEMBL3524552 0.69 MAOA (0.45) HRH3HRH4MAOAMAOBL3MBTL1
SCHEMBL8186168 0.69 L3MBTL1 (0.50) HRH3HRH4L3MBTL1TDP1ALDH1A1
SCHEMBL3523001 0.69 KDM4E (0.44) ALDH1A1TSHR
SCHEMBL2640223 0.69 TSHR (0.70) HRH3HRH4L3MBTL1TDP1TSHR

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 HRH3 271/4885HRH4 405/4885MAOA 1500/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 HRH3 271/4885HRH4 405/4885MAOA 1500/4885

“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.