SCHEMBL2677366

SCHEMBL2677366

O=C(O)N1CCCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
HPGD P15428 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
CA14 Q9ULX7 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SLC6A7 Q99884 1/20 0.56
HSD11B1 P28845 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
POLB P06746 1/20 0.55
HSP90AA1 P07900 1/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL3047748 0.95 CA12 (0.63) ALDH1A1CA12CA1CA2CA7
SCHEMBL643480 0.91 ALDH1A1 (0.69) ALDH1A1HPGDCA12CA1CA2
Hydrochloric Acid SCHEMBL5337680 0.89 ALDH1A1 (0.67) ALDH1A1HPGDCA12CA1CA2
SCHEMBL31334408 0.87 HPGD (0.76) ALDH1A1HPGDCA12CA1CA2
SCHEMBL6985975 0.87 CA12 (0.71) ALDH1A1HPGDCA12CA1CA2
SCHEMBL22305103 0.87 CA12 (0.71) ALDH1A1HPGDCA12CA1CA2
SCHEMBL18867940 0.85 HPGD (0.80) ALDH1A1HPGDCA12CA1CA2
SCHEMBL3355334 0.85 HPGD (0.80) ALDH1A1HPGDCA12CA1CA2
Hydrochloric Acid SCHEMBL517817 0.84 HPGD (0.77) ALDH1A1HPGDCA12CA1CA2
SCHEMBL2678752 0.84 HPGD (0.75) ALDH1A1HPGDCA12CA1CA2

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 1695/4885HPGD 422/4885CA12 3745/4885

“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.