SCHEMBL1313764

SCHEMBL1313764

CCCCCCCCc1cc2cc(C#N)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.52
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.45
KCNH2 Q12809 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL5225993 0.94 HRH3 (0.54) HRH3KCNH2
SCHEMBL5030411 0.93 HRH3 (0.54) HRH3KCNH2
SCHEMBL5034855 0.91 HRH3 (0.55) HRH3KCNH2
SCHEMBL5032790 0.88 HRH3 (0.55) HRH3KCNH2
SCHEMBL5032985 0.85 HRH3 (0.58) HRH3KCNH2
SCHEMBL16808245 0.82 HRH3 (0.51) HRH3KCNH2
SCHEMBL13079657 0.82 HRH3 (0.52) HRH3KCNH2
SCHEMBL5033190 0.80 HRH3 (0.42) HRH3KCNH2
SCHEMBL5028042 0.79 CYP2A6 (0.43) HRH3KCNH2
SCHEMBL5032875 0.78 HRH3 (0.51) HRH3KCNH2

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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 HRH3 1215/4885TSHR 3295/4885HSD17B10 914/4885

“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.