SCHEMBL4387340

SCHEMBL4387340

O=S(=O)(C1CC1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 1/20 0.37
▸ CHRM1 P11229 3/20 0.35
▸ SLC6A3 Q01959 3/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ HRH2 P25021 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
SCHEMBL4381279 0.83 PKM (0.49) CYP2C9MEN1KMT2A
SCHEMBL4390159 0.81 MEN1 (0.49) SLC6A3SLC6A2CYP2C9SLC6A4MEN1
SCHEMBL4392624 0.80 GAA (0.40) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4378960 0.78 PKM (0.43) TSHRHTR2A
SCHEMBL4382575 0.78 KMT2A (0.52) MEN1KMT2A
SCHEMBL4385272 0.78 PKM (0.54) TSHRHTR2AKMT2A
SCHEMBL4393768 0.77 KMT2A (0.47) CYP2C9HTR2AMEN1KMT2A
SCHEMBL4385228 0.77 PKM (0.44) CYP2C9TSHRMEN1KMT2A
SCHEMBL4384548 0.76 PKM (0.56) TSHRMEN1KMT2A
SCHEMBL4377542 0.76 PKM (0.37) CYP1A2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 — — US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 — — US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 — — US disclosed
EP-2040698-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-04-01 — — EP disclosed
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 — — 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 USP30 3835/4885CHRM1 156/4885SLC6A3 690/4885

“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.

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