SCHEMBL15420166

SCHEMBL15420166

O=C(O)N[C@H]1CCOC[C@@H]1COc1ccc(-n2cccn2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.40
HCRTR2 O43614 7/20 0.39
HCRTR1 O43613 7/20 0.38
MAPT P10636 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KAT7 O95251 1/20 0.35
KAT5 Q92993 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL15441683 0.85 HCRTR2 (0.37) CHRM1HCRTR2HCRTR1MAPTOPRM1
Hydrochloric Acid SCHEMBL12989775 0.84 HCRTR2 (0.36) CHRM1HCRTR2HCRTR1MAPTOPRM1
SCHEMBL15420479 0.84 CYP46A1 (0.38) CHRM1HCRTR2KAT5
SCHEMBL15420465 0.75 DGAT1 (0.38) HCRTR2
SCHEMBL15420605 0.73 HDAC1 (0.41) CHRM1MAPT
SCHEMBL15420260 0.72 KAT5 (0.40) CHRM1HCRTR2KAT5
SCHEMBL12989854 0.71 CHRM1 (0.38) CHRM1KAT5
SCHEMBL12988790 0.71 CHRM1 (0.42) CHRM1HCRTR2HCRTR1KAT7KAT5
SCHEMBL15441476 0.71 CHRM1 (0.42) CHRM1HCRTR2HCRTR1KAT7KAT5
SCHEMBL15420674 0.71 CHRM1 (0.38) CHRM1KAT5

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 US disclosed
US-20070161771-A1 SYNTHESIS OF ELASTOMERIC CARBORANE-SILOXANES BY HYDROSILATION REACTIONS THE GOVERNMENT OF THE US, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-07-12 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 CHRM1 227/4885HCRTR2 383/4885HCRTR1 560/4885

“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.