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Sugi Predict / Compounds / SCHEMBL2014118

SCHEMBL2014118

SCHEMBL2014118

CC1(C)CCC(C)(C)c2cc(-c3ccnc(N4CCN(CCCCO)CC4)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.42
▸ RARA P10276 2/20 0.42
▸ RARB P10826 2/20 0.42
▸ RARG P13631 2/20 0.42
▸ TLR9 Q9NR96 1/20 0.39
▸ TLR7 Q9NYK1 1/20 0.39
▸ ITGB2 P05107 1/20 0.38
▸ ICAM1 P05362 1/20 0.38
▸ ITGAL P20701 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ UBE2N P61088 1/20 0.37

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
SCHEMBL2017376 0.87 CYP1A2 (0.41) LRRK2RARARARBRARGHRH3
SCHEMBL2014225 0.86 CYP1A2 (0.40) LRRK2RARARARBRARGKCNH2
SCHEMBL12633179 0.85 HRH3 (0.46) RARARARBRARGHRH3HTR1A
SCHEMBL2049682 0.85 HRH4 (0.41) RARARARBRARGKCNH2HRH3
SCHEMBL12633167 0.84 RARA (0.47) RARARARBRARGDRD2DRD4
SCHEMBL12632929 0.83 RARA (0.46) RARARARBRARGDRD2DRD4
SCHEMBL2012292 0.83 ACHE (0.40) RARARARBRARGDRD2HRH3
SCHEMBL2013393 0.83 RARA (0.46) RARARARBRARGDRD2DRD4
SCHEMBL12633170 0.83 CYP1A2 (0.42) LRRK2RARARARBRARGKDM4E
SCHEMBL2013985 0.83 RARA (0.46) RARARARBRARGDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 — — US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 — — EP disclosed
EP-2513057-A1 SPHINGOSINE KINASE INHIBITORS Merck Patent GmbH (DE) 2012-10-24 — — EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 — — US disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 — — WO disclosed
WO-2011072791-A1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-06-23 — — 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 LRRK2 104/4885RARA 4373/4885RARB 4194/4885

“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.