SCHEMBL2677609

SCHEMBL2677609

O=C(O)N1CCCN(C(=O)N2CCSCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
TP53 P04637 1/20 0.47
AKR1C3 P42330 2/20 0.45
USP2 O75604 1/20 0.38
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
HPGD P15428 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RYR2 Q92736 1/20 0.35
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL337228 0.84
SCHEMBL2676573 0.82 ALDH1A1 (0.80) ALDH1A1KMT2AMEN1TP53AKR1C3
SCHEMBL26132162 0.82 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1TP53AKR1C3
Hydrochloric Acid SCHEMBL720506 0.82 FAAH (0.42) ALDH1A1KMT2AAKR1C3HPGDSMN1; SMN2
SCHEMBL20910881 0.82 AKR1C3 (0.52) ALDH1A1KMT2AMEN1TP53AKR1C3
SCHEMBL29056000 0.80 ALDH1A1 (0.79) ALDH1A1KMT2AMEN1TP53AKR1C3
SCHEMBL21809205 0.79 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TP53USP2
SCHEMBL2677677 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TP53AKR1C3
SCHEMBL153114 0.76
SCHEMBL2677476 0.76 GAA (0.53) ALDH1A1KMT2AMEN1USP2SMN1; 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.