SCHEMBL4476880

SCHEMBL4476880

O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCC(c2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
ATM Q13315 1/20 0.65
SCD5 Q86SK9 1/20 0.63
CNR2 P34972 1/20 0.58
SLC6A7 Q99884 1/20 0.55
MGLL Q99685 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC9A1 P19634 2/20 0.51
GHSR Q92847 1/20 0.51
SCN9A Q15858 1/20 0.50
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SLC18A3 Q16572 1/20 0.48
ROCK2 O75116 1/20 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
SCHEMBL4473326 0.94 CNR2 (0.63) RAB9ANPC1ATMSCD5CNR2
SCHEMBL4472712 0.84 CNR2 (0.61) RAB9ANPC1ATMSCD5CNR2
SCHEMBL4472676 0.81 SLC6A7 (0.53) RAB9ANPC1ATMSCD5CNR2
SCHEMBL4469167 0.81 SLC6A7 (0.55) RAB9ANPC1ATMSCD5CNR2
SCHEMBL12447384 0.80 RAB9A (0.81) RAB9ANPC1ATMSCD5MAPT
SCHEMBL20006200 0.80 RAB9A (0.81) RAB9ANPC1ATMSCD5MAPT
SCHEMBL2389808 0.79 NAMPT (0.58) RAB9ANPC1ATMSCD5SLC9A1
SCHEMBL30090938 0.78 RBP4 (0.63) RAB9ANPC1ATMSCD5SLC9A1
SCHEMBL21536465 0.78 SCD5 (1.00) SCD5
SCHEMBL911362 0.77 SLC6A7 (0.61) SLC6A7MGLLALDH1A1GHSRHSD11B1

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 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.