SCHEMBL1706072

SCHEMBL1706072

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)NS(=O)(=O)c1ccc2c(Cl)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.46
GUSB P08236 1/20 0.41
HTR2C P28335 8/20 0.41
HTR7 P34969 8/20 0.41
HTR2A P28223 7/20 0.41
DRD3 P35462 5/20 0.41
HTR1A P08908 4/20 0.41
BRD4 O60885 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
GHSR Q92847 1/20 0.38
SCN9A Q15858 1/20 0.37
RAD52 P43351 1/20 0.36
EGFR P00533 1/20 0.36
ALK Q9UM73 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
SCHEMBL12156234 0.90 SMN1; SMN2 (0.40) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL10080284 0.88 RAD52 (0.41) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156232 0.88 HTR6 (0.43) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156282 0.83 HTR6 (0.42) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156270 0.83 HTR6 (0.46) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156286 0.83 HTR6 (0.43) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156249 0.82 HTR6 (0.45) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12373788 0.81 HTR6 (0.46) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12156288 0.81 GUSB (0.51) HTR6GUSBHTR2CHTR7HTR2A
SCHEMBL12161083 0.81 S1PR1 (0.51) HTR6GUSBHTR2CHTR7HTR2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 EP 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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB HTR6 1736/4885GUSB 3908/4885HTR2C 1998/4885

“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.