SCHEMBL2677804

SCHEMBL2677804

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.71
POLB P06746 1/20 0.65
MEN1 O00255 3/20 0.62
CHRNA7 P36544 1/20 0.61
ALDH1A1 P00352 7/20 0.60
HPGD P15428 3/20 0.60
HSD17B10 Q99714 2/20 0.60
PHGDH O43175 1/20 0.60
MAPT P10636 2/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 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
AKR1C3 P42330 1/20 0.58
MGLL Q99685 1/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL4251742 0.91 KMT2A (0.77) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL31387921 0.87 HPGD (0.76) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL9585721 0.87 POLB (0.81) KMT2APOLBCHRNA7ALDH1A1HPGD
SCHEMBL10722382 0.87 POLB (0.81) KMT2APOLBCHRNA7ALDH1A1HPGD
SCHEMBL11112400 0.85 HPGD (0.80) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL3455787 0.85 HPGD (0.80) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL2678752 0.84 HPGD (0.75) POLBALDH1A1HPGDSMN1; SMN2CA12
Hydrochloric Acid SCHEMBL4034198 0.84 HPGD (0.77) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL15134828 0.83 KMT2A (1.00) KMT2APOLBMEN1CHRNA7ALDH1A1
SCHEMBL2676774 0.83 ALDH1A1 (0.66) KMT2APOLBMEN1ALDH1A1HPGD

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 KMT2A 3896/4885POLB 4259/4885MEN1 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.