SCHEMBL12367648

SCHEMBL12367648

CC(C)CN1CCC(C(=O)c2ccc(C3OCCO3)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NAMPT P43490 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 11/20 0.38
DYRK1A Q13627 11/20 0.38
WNT1 P04628 9/20 0.38
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CYP2D6 P10635 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
SCHEMBL12367652 0.79 KDM4E (0.42) TACR3KDM4ENAMPTSMN1; SMN2ALDH1A1
SCHEMBL12367657 0.79 KDM4E (0.42) TACR3KDM4ENAMPTSMN1; SMN2GSK3B
SCHEMBL12367647 0.76 RECQL (0.48) NAMPT
SCHEMBL24724937 0.75 NAMPT (0.47) TACR3KDM4ENAMPTSMN1; SMN2TDP1
SCHEMBL18595333 0.70 TDP1 (0.46) KDM4ESMN1; SMN2ALDH1A1TDP1
SCHEMBL24955122 0.68 MAPK1 (0.53) KDM4ESMN1; SMN2ALDH1A1TDP1DYRK1A
SCHEMBL29181795 0.67 CYP1A2 (0.43) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8096313 0.66 LMNA (0.60)
SCHEMBL20304797 0.65 KDM4E (0.34) KDM4ESMN1; SMN2TDP1GSK3BCDK5
SCHEMBL17819837 0.65 KDM4A (0.47) TDP1GSK3BDYRK1A

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 TACR3 223/4885KDM4E 1411/4885NAMPT 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.