SCHEMBL12632544

SCHEMBL12632544

CC1(C)CCCc2cc(-c3cccc(N4CCNCC4)n3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
PIM1 P11309 10/20 0.42
PIM2 Q9P1W9 7/20 0.42
PIM3 Q86V86 6/20 0.42
KARS1 Q15046 3/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCQ Q04759 1/20 0.40
PRKCD Q05655 1/20 0.40
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
CNR1 P21554 1/20 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
SCHEMBL2032620 0.93 HTR2A (0.45) ASIC3HTR2AHTR2CPIM1PIM2
SCHEMBL12633191 0.93 ASIC3 (0.44) ASIC3HTR2AHTR2CPIM1PIM2
SCHEMBL2016800 0.86 PIM1 (0.45) ASIC3HTR2AHTR2CPIM1PIM2
SCHEMBL2014630 0.86 RARA (0.51) ASIC3PIM1PIM2PIM3KARS1
SCHEMBL2013665 0.84 IRAK4 (0.49) PIM1PIM2PIM3KARS1IRAK4
SCHEMBL2224658 0.82 BAZ2A (0.46) ALDH1A1
SCHEMBL12937054 0.82 HTR2A (0.40) HTR2AHTR2C
SCHEMBL2039478 0.82 HTR3E (0.46) ASIC3PIM1PIM2PIM3KARS1
SCHEMBL2012017 0.81 HTR1A (0.40) ASIC3HTR2AHTR2CPIM1PIM2
Bromide SCHEMBL12806056 0.81 BAZ2A (0.46) ALDH1A1

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 9 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
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

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 ASIC3 2629/4885HTR2A 2871/4885HTR2C 2938/4885

“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.