SCHEMBL15934136

SCHEMBL15934136

Cc1noc(C2CCN2C)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
OGA O60502 1/20 0.36
HSD11B1 P28845 1/20 0.36
HDAC8 Q9BY41 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
SCHEMBL16945611 0.89 CHRNB2 (0.51) CHRM2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12890048 0.89 CHRNB2 (0.51) CHRM2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12900581 0.78 CHRM2 (0.40) CHRM2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15931977 0.77 GPR119 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8873659 0.75 CHRM2 (0.46) CHRM2CHRNB2CHRNA7CHRNA4HDAC6
SCHEMBL16945623 0.75 CHRM2 (0.43) CHRM2HSD11B1
SCHEMBL17464828 0.75 CHRM2 (0.43) CHRM2HSD11B1
SCHEMBL2743257 0.74 CHRM2 (0.49) CHRM2OGAHSD11B1
Hydrochloric Acid SCHEMBL8871582 0.74 CHRM2 (0.45) CHRM2CHRNB2CHRNA7CHRNA4HDAC6
SCHEMBL16945704 0.74 SPHK2 (0.51) CHRM2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-9688668-B2 Long chain base sphingosine kinase inhibitors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2017-06-27 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US disclosed
US-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2015-07-30 US disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 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 (2 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-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 CHRM2 4640/4885CHRNB2 2688/4885CHRNB4 3431/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 CHRM2 591/4885CHRNB2 194/4885CHRNB4 175/4885

“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.