SCHEMBL4393044

SCHEMBL4393044

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 7/20 0.50
▸ SLC6A3 Q01959 1/20 0.42
▸ USP2 O75604 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ PANK3 Q9H999 1/20 0.40
▸ PRKAB2 O43741 1/20 0.39
▸ PRKAG1 P54619 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ PRKAA1 Q13131 1/20 0.39
▸ PRKAG3 Q9UGI9 1/20 0.39
▸ PRKAG2 Q9UGJ0 1/20 0.39
▸ PRKAB1 Q9Y478 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4381447 0.85 ALDH1A1 (0.49) USP2KMT2AKDM4ECYP3A4
SCHEMBL4394040 0.76 CCR2 (0.49) KMT2A
SCHEMBL29185308 0.75 S1PR2 (0.51) S1PR2USP2CYP1A2CYP2C9HPGDS
SCHEMBL2294293 0.74 GRIN2B (0.50) KMT2AHPGDSSMN1; SMN2GRIN2B
SCHEMBL4552460 0.73 FAAH (0.53) KMT2AP2RX1SMN1; SMN2GRIN2B
SCHEMBL8219109 0.71 S1PR2 (0.50) S1PR2USP2CYP1A2CYP2C9HPGDS
SCHEMBL4391368 0.71 RAB9A (0.41) KMT2A
SCHEMBL5912296 0.70 S1PR2 (0.91) S1PR2USP2CYP1A2CYP2C9TRPM8
SCHEMBL4384919 0.69 HTT (0.48) KDM4EPKMSMN1; SMN2
SCHEMBL8098770 0.68 LMNA (0.57) KMT2AKDM4EGRIN2B

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 3 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

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 S1PR2 486/4885SLC6A3 690/4885USP2 3614/4885

“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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