SCHEMBL12373788

SCHEMBL12373788

CCn1c(C(C)NS(=O)(=O)c2ccc3c(Cl)cccc3c2)cnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.46
GUSB P08236 1/20 0.43
HTR7 P34969 8/20 0.41
HTR2C P28335 8/20 0.41
HTR2A P28223 6/20 0.41
DRD3 P35462 4/20 0.41
HTR1A P08908 3/20 0.41
BRD4 O60885 1/20 0.39
S1PR1 P21453 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GHSR Q92847 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL12373942 0.94 GUSB (0.44) HTR6GUSBHTR7HTR2CHTR2A
SCHEMBL12373935 0.93 GUSB (0.40) HTR6GUSBHTR7HTR2CHTR2A
SCHEMBL2277665 0.90 S1PR1 (0.42) HTR6GUSBHTR7HTR2CHTR2A
SCHEMBL12373925 0.89 HTR7 (0.45) HTR6GUSBHTR7HTR2CHTR2A
SCHEMBL12161083 0.88 S1PR1 (0.51) HTR6GUSBHTR7HTR2CHTR2A
SCHEMBL12373920 0.88 HTR2C (0.43) HTR6HTR7HTR2CHTR2ADRD3
SCHEMBL12373927 0.85 BRD4 (0.41) HTR6HTR7HTR2CHTR2ADRD3
SCHEMBL12373792 0.84 S1PR1 (0.45) HTR6S1PR1SMN1; SMN2S1PR3
SCHEMBL12373827 0.83 S1PR1 (0.42) GUSBHTR7S1PR1SMN1; SMN2S1PR3
SCHEMBL12162129 0.83 HTR6 (0.46) HTR6GUSBHTR7HTR2CHTR2A

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 HTR6 1705/4885GUSB 4631/4885HTR7 2085/4885

“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.