SCHEMBL12367671

SCHEMBL12367671

CC(C)CN1CCC(Oc2ccc(CO)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
LIPE Q05469 1/20 0.42
NAMPT P43490 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACACB O00763 2/20 0.39
MCHR1 Q99705 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 3/20 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
SCHEMBL23147922 0.81 ACACB (0.40) HRH3LIPENAMPTACACBMCHR1
SCHEMBL12367667 0.80 HRH3 (0.46) HRH3LIPENAMPTMEN1KMT2A
SCHEMBL12367594 0.79 LIPE (0.41) HRH3LIPENAMPTMEN1KMT2A
SCHEMBL13960219 0.78 ACACB (0.46) HRH3ACACBMCHR1
SCHEMBL18421612 0.77 HRH3 (0.46) HRH3LIPENAMPTMCHR1
SCHEMBL17221104 0.77 LOX (0.47) HRH3NAMPTACACB
SCHEMBL12367595 0.76 HPGD (0.43) HRH3LIPENAMPTMEN1KMT2A
SCHEMBL12367592 0.75 PRMT5 (0.42) LIPENAMPTMEN1KMT2A
SCHEMBL30484266 0.74 IKBKE (0.45) HRH3NAMPTACACB
SCHEMBL14842338 0.74 IKBKE (0.45) HRH3NAMPTACACB

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 335/4885LIPE 8/4885NAMPT 2261/4885

“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.