SCHEMBL9892944

SCHEMBL9892944

C=C(C)c1coc(NC(=O)CC)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
ADORA3 P0DMS8 7/20 0.37
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ADORA2A P29274 4/20 0.35
ADORA2B P29275 4/20 0.35
ADORA1 P30542 4/20 0.35
MAPT P10636 3/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CCR6 P51684 1/20 0.34
MCL1 Q07820 1/20 0.34
ATM Q13315 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
POLB P06746 1/20 0.34
NR4A1 P22736 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
SCHEMBL6361286 0.77 LMNA (0.41) ADORA3KDM4EALDH1A1HTTNPSR1
SCHEMBL16255111 0.73 CCR4 (0.41) ADORA3KDM4EALDH1A1HTTNPSR1
SCHEMBL20705484 0.69 HDAC1 (0.36) HDAC1ADORA3MCL1MEN1KMT2A
SCHEMBL1527363 0.69 LMNA (0.44) KDM4EALDH1A1ADORA1RAB9ALMNA
SCHEMBL15053076 0.68 KDM4E (0.46) HDAC1ADORA3KDM4EALDH1A1ADORA1
SCHEMBL15064334 0.68 NLRP3 (0.54) HDAC1KDM4EALDH1A1NPSR1MAPT
SCHEMBL12630137 0.67 RORC (0.37) HDAC1ADORA3KDM4EALDH1A1NPSR1
SCHEMBL18964090 0.65 KDM4E (0.46) ADORA3KDM4EALDH1A1HTTADORA2A
SCHEMBL11536470 0.65 CYP2C19 (0.44) ADORA3KDM4EALDH1A1HTTADORA2A
SCHEMBL18214731 0.64

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 HDAC1 1718/4885ADORA3 97/4885KDM4E 1578/4885

“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.