SCHEMBL4489016

SCHEMBL4489016

O=C(c1ccc(Br)cc1)N1CCOC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 2/20 0.48
USP30 Q70CQ3 2/20 0.47
PDE2A O00408 2/20 0.46
KRAS P01116 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NAMPT P43490 1/20 0.45

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
SCHEMBL1710753 0.87 USP30 (0.50) NPC1RAB9AATMHPGDUSP30
SCHEMBL3374956 0.82 USP30 (0.44) USP30KRASMEN1KMT2A
SCHEMBL502854 0.82 USP30 (0.44) USP30KRASMEN1KMT2A
SCHEMBL3372111 0.82 USP30 (0.44) USP30KRASMEN1KMT2A
SCHEMBL4462669 0.81 CNR2 (0.60) NPC1RAB9AATMUSP30PDE2A
SCHEMBL4730362 0.80 USP30 (0.55) NPC1RAB9AUSP30PDE2AMEN1
SCHEMBL4730357 0.80 USP30 (0.55) NPC1RAB9AUSP30PDE2AMEN1
SCHEMBL20394937 0.80 ALDH1A1 (0.51) RAB9AHPGDUSP30MEN1KMT2A
SCHEMBL1710855 0.80 SLC6A7 (0.53) NPC1RAB9AATMHPGDUSP30
SCHEMBL4465735 0.80 RAB9A (0.75) NPC1RAB9AATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 NPC1 1645/4885RAB9A 1484/4885ATM 3058/4885

“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.