SCHEMBL12373920

SCHEMBL12373920

CCn1c(C(C)NS(=O)(=O)c2ccc3cc(C)ccc3c2)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.43
HTR7 P34969 12/20 0.43
HTR2A P28223 9/20 0.43
DRD3 P35462 6/20 0.43
HTR6 P50406 6/20 0.43
HTR1A P08908 6/20 0.43
BRD4 O60885 2/20 0.41
RAD52 P43351 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
SCHEMBL12373925 0.90 HTR7 (0.45) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL2277665 0.88 S1PR1 (0.42) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12373942 0.88 GUSB (0.44) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12373788 0.88 HTR6 (0.46) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12373927 0.88 BRD4 (0.41) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12162126 0.87 S1PR1 (0.48) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12373935 0.86 GUSB (0.40) HTR2CHTR7HTR2ADRD3HTR6
SCHEMBL12373827 0.81 S1PR1 (0.42) HTR7
SCHEMBL12373503 0.81 CYSLTR1 (0.43) HTR2CHTR7HTR2A
SCHEMBL12161084 0.81 HTR2C (0.52) HTR2CHTR7HTR2ADRD3HTR6

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 1266/4885HTR7 2085/4885HTR2A 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.