SCHEMBL6658840

SCHEMBL6658840

CCN1CCN(CCOc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.86
MAPK1 P28482 1/20 0.86
LTA4H P09960 3/20 0.74
NPC1 O15118 2/20 0.67
HRH3 Q9Y5N1 8/20 0.63
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
KCNH2 Q12809 2/20 0.61
HRH1 P35367 1/20 0.61
HRH4 Q9H3N8 1/20 0.58
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL10282319 0.90 MAPK1 (0.69) RAB9AMAPK1LTA4HALDH1A1KMT2A
SCHEMBL10679028 0.90 RAB9A (0.89) RAB9AMAPK1NPC1HRH3KCNH2
SCHEMBL1899201 0.85 LTA4H (1.00) RAB9ALTA4HNPC1HRH3KCNH2
Anisole SCHEMBL27860490 0.84 DRD3 (0.64) RAB9AMAPK1LTA4HALDH1A1KMT2A
SCHEMBL14970484 0.84 LTA4H (0.97) RAB9ALTA4HNPC1HRH3KCNH2
SCHEMBL6658075 0.84 LTA4H (0.68) RAB9AMAPK1LTA4HNPC1HRH3
Anisole SCHEMBL27860438 0.83 DRD3 (0.62) RAB9AMAPK1LTA4HALDH1A1KMT2A
SCHEMBL4237405 0.83 LTA4H (0.72) RAB9AMAPK1LTA4HNPC1HRH3
Fluorobenzene SCHEMBL27860496 0.82 MAPK1 (0.59) RAB9AMAPK1LTA4HALDH1A1KMT2A
SCHEMBL11898739 0.81 NPC1 (0.97) RAB9ALTA4HNPC1HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463731-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE Abbott GmbH & Co. KG (DE) 2004-10-06 EP disclosed
US-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-07-24 US disclosed
WO-2003057699-A1 DIBENZODIAZEPINE DERIVATES, THEIR PREPARATION AND USE ABBOTT GMBH & CO. KG (DE) 2003-07-17 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 (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-20030139394-A1 Dibenzodiazepine derivatives, their preparation and use CYP1B1, DRD1, CYP1A1 RAB9A 1198/4885MAPK1 694/4885LTA4H 3161/4885

“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.