SCHEMBL4473947

SCHEMBL4473947

O=C(c1ccc(Br)cc1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
LMNA P02545 1/20 0.70
HIF1A Q16665 1/20 0.70
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
ATM Q13315 1/20 0.65
TSHR P16473 1/20 0.62
HSD11B1 P28845 1/20 0.58
PROKR1 Q8TCW9 2/20 0.57
MYC P01106 1/20 0.57
PARP14 Q460N5 1/20 0.56
PARP10 Q53GL7 1/20 0.56
SCN9A Q15858 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL4465735 0.93 RAB9A (0.75) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL3455533 0.86 RAB9A (0.87) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL3457051 0.83 ALDH1A1 (1.00) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL12447384 0.82 RAB9A (0.81) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL20006200 0.82 RAB9A (0.81) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL23854774 0.81 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHIF1ATSHR
SCHEMBL2552810 0.81 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHIF1ATSHR
SCHEMBL20820443 0.81 ALDH1A1 (0.63) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL18286180 0.81 ALDH1A1 (0.67) ALDH1A1HPGDLMNAHIF1ANPC1
SCHEMBL13212978 0.79 RAB9A (0.75) ALDH1A1HPGDLMNAHIF1ANPC1

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 ALDH1A1 2612/4885HPGD 1870/4885LMNA 3602/4885

“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.