SCHEMBL12373931

SCHEMBL12373931

CCn1c(C(C)NS(=O)(=O)/C=C/c2ccccc2)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
USP2 O75604 1/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
GUSB P08236 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL12161148 0.88 HTR2C (0.38) HTR2CUSP2HTR2ADRD3HTR6
SCHEMBL12373513 0.81 PPARG (0.41) GAAHTT
SCHEMBL2277665 0.80 S1PR1 (0.42) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL12373920 0.79 HTR2C (0.43) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL12373927 0.79 BRD4 (0.41) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL27848858 0.78 HTR2C (0.48) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL12373935 0.78 GUSB (0.40) HTR2CHTR2ADRD3HTR6HTR1A
SCHEMBL2279406 0.78 HTR2C (0.43) HTR2CMAPTMEN1GFERKMT2A
SCHEMBL2276431 0.78 ADRA2C (0.41) HTR2CMAPTCACNA2D1
SCHEMBL12373925 0.78 HTR7 (0.45) HTR2CHTR2ADRD3HTR6HTR1A

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 HTR2C 1266/4885USP2 4845/4885HTR2A 1047/4885

“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.