SCHEMBL12367667

SCHEMBL12367667

CC(C)CN1CCC(Oc2ccc(C=O)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
NAMPT P43490 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LIPE Q05469 1/20 0.40
ACACB O00763 1/20 0.38
TACR3 P29371 1/20 0.38
MMP1 P03956 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KCNH2 Q12809 1/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL12367663 0.82 OPRK1 (0.42) HRH3NAMPTKDM4ELIPEALDH1A1
SCHEMBL30222191 0.81 ALDH1A1 (0.49) HRH3NAMPTKDM4EALDH1A1L3MBTL1
SCHEMBL23147699 0.81 ALDH1A1 (0.49) HRH3NAMPTKDM4EALDH1A1L3MBTL1
SCHEMBL12367671 0.80 HRH3 (0.46) HRH3NAMPTLIPEACACBMEN1
SCHEMBL17976902 0.78 RAB9A (0.52) HRH3KDM4EMEN1KMT2AALDH1A1
SCHEMBL15571936 0.78 RAB9A (0.52) HRH3KDM4EMEN1KMT2AALDH1A1
SCHEMBL2004014 0.78 HRH3 (0.58) HRH3KCNH2
SCHEMBL2893597 0.78 ALDH1A1 (0.46) HRH3NAMPTKDM4EACACBALDH1A1
SCHEMBL13003322 0.78 LIPE (0.42) HRH3NAMPTKDM4ELIPEALDH1A1
SCHEMBL16702162 0.77 NAMPT (0.45) NAMPTLIPEGPR119

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-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 US disclosed
US-20110207734-A1 Azine Derivatives and Methods of Use Thereof PALANI ANANDAN 2011-08-25 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-20110207734-A1 Azine Derivatives and Methods of Use Thereof AZI2, GPR119, GID4 HRH3 335/4885NAMPT 2261/4885KDM4E 1411/4885

“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.