SCHEMBL9891504

SCHEMBL9891504

CCCS(=O)(=O)N1CCC1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 3/20 0.32
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
EPHX2 P34913 1/20 0.30

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
SCHEMBL9891874 0.89 ALDH1A1 (0.36) ALDH1A1LMNAKDM4ECYP1A2ALOX15
SCHEMBL9892856 0.73 TP53 (0.38) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL12384446 0.70 ALDH1A1 (0.48) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3429323 0.69 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL3429330 0.69 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL16480385 0.68 ALDH1A1 (0.42) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL28481811 0.67 ALDH1A1 (0.38) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL9893174 0.67 TP53 (0.46) ALDH1A1LMNAKDM4EMAPTCYP1A2
SCHEMBL9103345 0.64 FKBP1A (0.47) ALDH1A1KDM4ECYP1A2KMT2AHTT
SCHEMBL9103351 0.64 FKBP1A (0.47) ALDH1A1KDM4ECYP1A2KMT2AHTT

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 ALDH1A1 1724/4885LMNA 4544/4885KDM4E 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.