SCHEMBL2677193

SCHEMBL2677193

O=C(O)N1CCCN(C(=O)N2CCC(F)(F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
TGM1 P22735 1/20 0.36
USP2 O75604 1/20 0.36
CA2 P00918 1/20 0.35
CHKA P35790 1/20 0.35
GRM5 P41594 1/20 0.35
AKR1C3 P42330 1/20 0.35
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
HRH3 Q9Y5N1 5/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1125850 0.86 DPP4 (0.37) ALDH1A1KMT2AMEN1GRM5DPP4
SCHEMBL3327476 0.85 DPP4 (0.37) ALDH1A1KMT2AMEN1F13A1TGM2
SCHEMBL27812244 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TP53F13A1
SCHEMBL2676573 0.79 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1TP53POLB
SCHEMBL26132162 0.79 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1TP53POLB
SCHEMBL2678059 0.78 GAA (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2USP2
SCHEMBL29056000 0.77 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1TP53POLB
SCHEMBL18390871 0.76 CYP1A2 (0.46) ALDH1A1F13A1TGM2TGM1MAPT
SCHEMBL21809205 0.76 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TP53USP2
SCHEMBL2677418 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1TP53SMN1; 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 1695/4885KMT2A 3896/4885MEN1 4826/4885

“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.