SCHEMBL4473326

SCHEMBL4473326

O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.63
ALDH1A1 P00352 3/20 0.58
LMNA P02545 1/20 0.58
HPGD P15428 1/20 0.58
HIF1A Q16665 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
ATM Q13315 1/20 0.57
SCD5 Q86SK9 1/20 0.57
SCN9A Q15858 1/20 0.57
SLC6A7 Q99884 1/20 0.54
TSHR P16473 1/20 0.53
GHSR Q92847 1/20 0.50
HSD11B1 P28845 1/20 0.49
MGLL Q99685 1/20 0.48
ROCK2 O75116 1/20 0.48
MYC P01106 1/20 0.48
PROKR1 Q8TCW9 3/20 0.48

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
SCHEMBL4476880 0.94 RAB9A (0.65) CNR2ALDH1A1LMNAHPGDHIF1A
SCHEMBL4472712 0.81 CNR2 (0.61) CNR2NPC1RAB9AATMSCD5
SCHEMBL4472676 0.81 SLC6A7 (0.53) CNR2ALDH1A1NPC1RAB9AATM
SCHEMBL4469167 0.81 SLC6A7 (0.55) CNR2ALDH1A1NPC1RAB9AATM
SCHEMBL3455533 0.80 RAB9A (0.87) ALDH1A1LMNAHPGDHIF1ANPC1
SCHEMBL4476935 0.77 CNR2 (1.00) CNR2ALDH1A1ATMSCD5
SCHEMBL5481080 0.77 CA2 (0.52) CNR2ALDH1A1SLC6A7GHSR
SCHEMBL4473947 0.77 ALDH1A1 (0.70) ALDH1A1LMNAHPGDHIF1ANPC1
SCHEMBL911362 0.76 SLC6A7 (0.61) ALDH1A1SLC6A7GHSRHSD11B1MGLL
SCHEMBL3457051 0.74 ALDH1A1 (1.00) ALDH1A1LMNAHPGDHIF1ANPC1

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 8 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

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 CNR2 2/4885ALDH1A1 2612/4885LMNA 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.