SCHEMBL3608226

SCHEMBL3608226

CC(C)(C)OC(=O)N1CCC(CCN2c3ccccc3N(c3ccc(F)cc3F)S2(=O)=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.52
SLC6A3 Q01959 5/20 0.52
SLC6A4 P31645 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4055780 0.93 SLC6A2 (0.52) SLC6A2SLC6A3SLC6A4SMN1; SMN2GPR119
SCHEMBL3600866 0.92 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4SMN1; SMN2TP53
SCHEMBL3608780 0.91 SMN1; SMN2 (0.47) SMN1; SMN2TP53LMNAMAPTPOLB
SCHEMBL4066284 0.87 GPR119 (0.45) SLC6A2SLC6A3SLC6A4SMN1; SMN2MAPT
SCHEMBL4055719 0.86 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4SMN1; SMN2MAPT
SCHEMBL3599871 0.84 SLC6A2 (0.48) SLC6A2SLC6A3SLC6A4SMN1; SMN2TP53
SCHEMBL4062683 0.84 GPR119 (0.55) SLC6A2SLC6A3SLC6A4GPR119KCNH2
SCHEMBL4055778 0.84 GPR119 (0.43) SLC6A2SLC6A3SMN1; SMN2GPR119
SCHEMBL3600863 0.82 KDM4E (0.46) SMN1; SMN2TP53MAPTGPR119
SCHEMBL4063277 0.80 GPR119 (0.48) SLC6A2SLC6A4SMN1; SMN2MAPTGPR119

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
US-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2010-02-04 US disclosed
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
US-7601722-B2 Aryl sulfamide derivatives and methods of their use WYETH (US) 2009-10-13 US disclosed
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-10 US disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 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 (3 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-20100029641-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT SLC6A2 545/4885SLC6A3 1138/4885SLC6A4 1557/4885
US-20080167303-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 SLC6A2 2/4885SLC6A3 3/4885SLC6A4 1/4885

“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.