SCHEMBL12374058

SCHEMBL12374058

CCn1c(C(C)N)cnc1OC1CCC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 8/20 0.34
VCP P55072 2/20 0.33
ACACB O00763 3/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND2 P30279 1/20 0.30
CCND3 P30281 1/20 0.30
USP1 O94782 1/20 0.30

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
SCHEMBL12374073 0.77 TAAR1 (0.31) CDK4CCND1CCND2CCND3
SCHEMBL12374035 0.77 CDK4 (0.30) CDK4CCND1CCND2CCND3
SCHEMBL12374042 0.76 NPSR1 (0.31)
SCHEMBL12374057 0.71 ALDH1A1 (0.39)
SCHEMBL12374001 0.70 SLC6A4 (0.38) CDK4CCND1CCND2CCND3
SCHEMBL12373881 0.70 S1PR1 (0.45)
SCHEMBL12373847 0.70 S1PR1 (0.44)
SCHEMBL12374074 0.69 ALDH1A1 (0.32)
SCHEMBL12374028 0.69 TDP1 (0.31)
SCHEMBL12374050 0.69

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 LNPEP 3741/4885VCP 4569/4885ACACB 3997/4885

“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.