SCHEMBL2676809

SCHEMBL2676809

O=C(O)N1CCCN(C(=O)c2cccc(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
KDM4E B2RXH2 2/20 0.62
PKM P14618 1/20 0.62
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59
HTT P42858 1/20 0.56
MGLL Q99685 1/20 0.56

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
SCHEMBL2926898 0.95 PKM (0.67) ALDH1A1L3MBTL1KDM4EPKMCA12
SCHEMBL10726894 0.89 PKM (0.74) ALDH1A1L3MBTL1KDM4EPKMCA12
SCHEMBL29944586 0.87 ALDH1A1 (0.70) ALDH1A1L3MBTL1KDM4EPKMCA12
SCHEMBL3457036 0.87 ALDH1A1 (0.70) ALDH1A1L3MBTL1KDM4EPKMCA12
SCHEMBL2677909 0.84 CNR2 (0.53) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL2678752 0.82 HPGD (0.75) ALDH1A1L3MBTL1CA12CA1CA2
SCHEMBL4250814 0.81 POLB (0.66) ALDH1A1L3MBTL1PKMCA12CA1
SCHEMBL2677804 0.81 KMT2A (0.71) ALDH1A1CA12CA1CA2CA7
SCHEMBL2676273 0.80 HPGD (0.79) ALDH1A1PKMSMN1; SMN2MEN1POLB
SCHEMBL6940127 0.78 PHGDH (0.66) ALDH1A1L3MBTL1KDM4EPKMSMN1; SMN2

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 6 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-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 ALDH1A1 1695/4885L3MBTL1 4765/4885KDM4E 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.