SCHEMBL2676529

SCHEMBL2676529

O=C(O)N1CCCN(C(=O)CCC(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL26127197 0.94 KDM4E (0.48) ALDH1A1MEN1KMT2ATDP1ATM
SCHEMBL24200591 0.87 ATM (0.58) ALDH1A1MEN1KMT2ATDP1ATM
SCHEMBL15377457 0.85 ATM (0.56) ALDH1A1MEN1KMT2ATDP1ATM
SCHEMBL2679182 0.79 TP53 (0.58) ALDH1A1MEN1KMT2AATMLMNA
SCHEMBL2678633 0.77 TP53 (0.66) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL2677070 0.76 HSD11B1 (0.65) ALDH1A1MEN1KMT2AATMKDM4E
SCHEMBL4479565 0.74 HTR7 (0.54) ALDH1A1MEN1KMT2ATDP1ATM
Water SCHEMBL28089837 0.73 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AATMHPGD
SCHEMBL21809205 0.73 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AATMUSP2
Water SCHEMBL28089835 0.73 — —

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 1695/4885MEN1 4826/4885KMT2A 3896/4885

“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.

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