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Sugi Predict / Compounds / SCHEMBL608235

SCHEMBL608235

SCHEMBL608235

Cc1ccc(OS(=O)(=O)C(F)(F)F)c(CO[Si](C)(C)C(C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.33
▸ HSD11B1 P28845 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD1 P21728 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ DRD5 P21918 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL10121601 0.86 KDM4E (0.33) KDM4E
SCHEMBL17440325 0.81 KDM4E (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL6377285 0.74 KDM4E (0.49) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17150222 0.74 KDM4C (0.36) DRD2DRD1DRD4DRD5DRD3
SCHEMBL4061114 0.73 S1PR4 (0.39) HSD11B1DRD2DRD1DRD4DRD5
SCHEMBL17150209 0.73 S1PR4 (0.42) KDM4EGAATDP1
SCHEMBL17150196 0.73 NPY1R (0.32) KDM4E
SCHEMBL6378153 0.72 ALDH1A1 (0.42) KDM4E
SCHEMBL694083 0.71 KDM4E (0.51) TACR1KDM4ETDP1
SCHEMBL28851111 0.71 KDM4E (0.33) KDM4E

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-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-08-11 — — US disclosed
US-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-04-18 — — US disclosed
WO-2017178344-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 — — WO disclosed
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-02-16 — — US disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 — — EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 — — US disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 — — WO 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 (4 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-20190112292-A1 NOVEL N-[(HETEROARYLOXY)PROPANYL]HETEROARYL CARBOXAMIDES HCRTR2, HCRTR1, CNR2 TACR1 210/4885HSD11B1 336/4885DRD2 220/4885
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 TACR1 70/4885HSD11B1 3152/4885DRD2 119/4885
US-20120040991-A1 3-AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R TACR1 51/4885HSD11B1 257/4885DRD2 307/4885
US-10738031-B2 N-[(heteroaryloxy)propanyl]heteroaryl carboxamides as antagonists of orexin subtype 1 receptor activity HCRTR2, HCRTR1, CNR1 TACR1 178/4885HSD11B1 393/4885DRD2 224/4885

“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.