SCHEMBL16945633

SCHEMBL16945633

Cc1nnc([C@@H]2CCCN2C(=N)N)o1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SPHK2 Q9NRA0 11/20 0.41
▸ SPHK1 Q9NYA1 9/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ HCRTR1 O43613 2/20 0.38
▸ HCRTR2 O43614 2/20 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
SCHEMBL17069027 0.81 ALDH1A1 (0.45) ENPP2ALDH1A1HCRTR1HCRTR2
SCHEMBL16400185 0.77 ALDH1A1 (0.42) ENPP2ALDH1A1HCRTR1HCRTR2
SCHEMBL16949042 0.75 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL17069030 0.75 ALDH1A1 (0.67) ALDH1A1
SCHEMBL16945609 0.74 CHRM2 (0.47) —
SCHEMBL16945703 0.72 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL16949598 0.72 SPHK2 (0.53) SPHK2SPHK1
SCHEMBL14213479 0.71 OGA (0.37) ENPP2ALDH1A1
SCHEMBL14213477 0.71 OGA (0.37) ENPP2ALDH1A1
SCHEMBL14213466 0.71 OGA (0.37) ENPP2ALDH1A1

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 4 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

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-20150210675-A1 LONG CHAIN BASE SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, SGPL1 SPHK2 2/4885SPHK1 1/4885ENPP2 33/4885

“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.

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