SCHEMBL12937460

SCHEMBL12937460

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)ns2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
FAAH O00519 12/20 0.43
PIK3CA P42336 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL2015195 0.82 CKS1B (0.46) PIK3CAGPR119CKS1BSKP1SKP2
SCHEMBL12937468 0.82 MAPT (0.52) NPC1PIK3CAGPR119
SCHEMBL12804909 0.82 PIK3CA (0.48) PIK3CAGPR119CKS1BSKP1SKP2
SCHEMBL12937669 0.81 MAPT (0.48) NPC1RAB9ACKS1BSKP1SKP2
SCHEMBL3768360 0.80 NPC1 (0.70) NPC1RAB9AFAAHCKS1BSKP1
SCHEMBL2015994 0.79 RARA (0.50) GPR119CKS1BSKP1SKP2
SCHEMBL8512735 0.78 GPR119 (0.48) GPR119CKS1BSKP1SKP2
SCHEMBL2015814 0.78 ACHE (0.52) FAAHPIK3CAGPR119CKS1BSKP1
SCHEMBL2015241 0.78 CKS1B (0.49) GPR119CKS1BSKP1SKP2
SCHEMBL2014735 0.78 WNT3A (0.46) PIK3CAGPR119CKS1BSKP1SKP2

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-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-8907098-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2014-12-09 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 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-20120252815-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, S1PR3, SPHK2 NPC1 818/4885RAB9A 1129/4885FAAH 2744/4885

“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.