SCHEMBL2677271

SCHEMBL2677271

O=C(CN1CCCCC1)N1CCCN(C(=O)Nc2ccc3ccccc3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.64
FAAH O00519 2/20 0.52
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
HSD17B10 Q99714 2/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
GAA P10253 1/20 0.47
F10 P00742 1/20 0.46
TSHR P16473 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
SCHEMBL830749 0.86 RAB9A (0.64) KDM4ERAB9ANPC1HSD17B10TP53
SCHEMBL6852416 0.85 KDM4E (0.62) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL9188898 0.82 FAAH (0.62) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL10257570 0.82 CNR2 (0.63) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL2677590 0.81 KDM4E (0.58) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL2679313 0.81 KDM4E (0.72) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL10253777 0.81 CNR2 (0.64) KDM4EFAAHHSD17B10HTTMEN1
SCHEMBL2676145 0.80 CNR2 (0.67) KDM4EFAAHHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL2679109 0.80 CNR2 (0.66) KDM4EFAAHRAB9ANPC1HSD17B10
SCHEMBL2677901 0.80 KDM4E (0.56) KDM4EFAAHRAB9ANPC1HSD17B10

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 11 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 claimed
US-20100009964-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-14 US claimed
WO-2008064054-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-29 WO claimed
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-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
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
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 KDM4E 3926/4885FAAH 47/4885RAB9A 2182/4885

“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.