SCHEMBL12806751

SCHEMBL12806751

OCCCCC(c1ccccc1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.64
SLC6A2 P23975 14/20 0.59
SLC6A3 Q01959 6/20 0.56
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTR7 P34969 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL12806778 0.95 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL27782829 0.89 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL9816200 0.89 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL22305405 0.84 SLC6A4 (0.81) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL5139722 0.82 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL14035499 0.82 SLC6A4 (0.68) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11801805 0.82 SLC6A4 (0.83) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12806785 0.81 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL10413788 0.80 SLC6A4 (0.69) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL12806743 0.79 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3

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 2 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-20120252789-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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 SLC6A4 2155/4885SLC6A2 1371/4885SLC6A3 1505/4885

“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.