SCHEMBL10257570

SCHEMBL10257570

O=C(CC1CCCCC1)N1CCCN(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.63
NAMPT P43490 5/20 0.57
KDM4E B2RXH2 3/20 0.56
EPHX1 P07099 1/20 0.55
CNR1 P21554 1/20 0.51
EPHX2 P34913 1/20 0.49
FAAH O00519 2/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10253777 0.99 CNR2 (0.64) CNR2NAMPTKDM4EEPHX1CNR1
SCHEMBL10253753 0.90 NAMPT (0.56) CNR2NAMPTKDM4EEPHX1CNR1
SCHEMBL2676145 0.89 CNR2 (0.67) CNR2NAMPTKDM4EEPHX1CNR1
SCHEMBL2678018 0.88 CNR2 (0.69) CNR2NAMPTKDM4EEPHX1CNR1
SCHEMBL2676305 0.84 CNR2 (0.64) CNR2KDM4EEPHX1CNR1EPHX2
SCHEMBL2677586 0.83 CNR2 (0.63) CNR2NAMPTKDM4EEPHX1FAAH
SCHEMBL10253428 0.83 CNR2 (0.70) CNR2NAMPTCNR1EPHX2FAAH
SCHEMBL2677271 0.82 KDM4E (0.64) KDM4EFAAHHSD17B10ALDH1A1NPC1
SCHEMBL10253436 0.82 CNR2 (0.65) CNR2NAMPTCNR1NPC1TP53
SCHEMBL830749 0.82 RAB9A (0.64) KDM4EHSD17B10ALDH1A1NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173638-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US disclosed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 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-20100009964-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885NAMPT 1918/4885KDM4E 3926/4885

“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.