SCHEMBL929751

SCHEMBL929751

CC(C)(C)OC(=O)N1CC[C@@H]2C1CN2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.47
CCR5 P51681 3/20 0.44
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42

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
SCHEMBL651151 1.00 STS (0.47) STSCCR5GPR119JAK2JAK1
SCHEMBL30071078 1.00 STS (0.47) STSCCR5GPR119JAK2JAK1
SCHEMBL17483520 0.91 STS (0.47) STSCCR5GPR119JAK2JAK1
SCHEMBL798874 0.85 STS (0.47) STSGPR119KMT2AL3MBTL1NR1H2
SCHEMBL10257295 0.85 STS (0.47) STSGPR119KMT2AL3MBTL1NR1H2
SCHEMBL788451 0.85 STS (0.47) STSGPR119KMT2AL3MBTL1NR1H2
SCHEMBL6785103 0.84 NR1H2 (0.47) STSGPR119JAK2JAK1KMT2A
SCHEMBL2226628 0.83 MAPT (0.45) STSGPR119JAK2JAK1KMT2A
SCHEMBL2226624 0.83 MAPT (0.45) STSGPR119JAK2JAK1KMT2A
SCHEMBL993829 0.82 CCR5 (0.58) CCR5GPR119JAK2JAK1

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-7872010-B2 Substituted diazabicycloalkane derivatives having affinity for nicotinic acetylcholine receptors ABBOTT LABORATORIES (US) 2011-01-18 US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 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-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 STS 4555/4885CCR5 440/4885GPR119 84/4885

“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.