SCHEMBL4465735

SCHEMBL4465735

O=C(c1ccc(Br)cc1)N1CCC(c2ccccc2)C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
NPC1 O15118 3/20 0.75
ATM Q13315 1/20 0.75
ALDH1A1 P00352 4/20 0.62
MAPT P10636 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
HPGD P15428 2/20 0.61
LMNA P02545 2/20 0.61
HIF1A Q16665 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
SLC18A3 Q16572 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56

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
SCHEMBL4473947 0.93 ALDH1A1 (0.70) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL12447384 0.90 RAB9A (0.81) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL20006200 0.90 RAB9A (0.81) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL13212978 0.86 RAB9A (0.75) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL12447335 0.84 RAB9A (0.72) RAB9ANPC1ATMALDH1A1MAPT
Bromobenzene SCHEMBL28848882 0.84 MAPT (0.62) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL10720211 0.83 CA12 (0.76) RAB9ANPC1ATMALDH1A1L3MBTL1
SCHEMBL27860957 0.83 RAB9A (0.71) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL16712998 0.81 RAB9A (0.68) RAB9ANPC1ATMALDH1A1MAPT
SCHEMBL25322608 0.80 MAPT (0.58) RAB9ANPC1ATMALDH1A1MAPT

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 RAB9A 1484/4885NPC1 1645/4885ATM 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.