SCHEMBL4380553

SCHEMBL4380553

Fc1ccc(C(c2ccc(F)cc2)N2CCC(=NOC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ OPRK1 P41145 4/20 0.46
▸ OPRL1 P41146 3/20 0.46
▸ CACNA1B Q00975 2/20 0.45
▸ CACNA2D1 P54289 1/20 0.45
▸ CACNB1 Q02641 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CHRM2 P08172 2/20 0.42
▸ CHRM4 P08173 2/20 0.42
▸ CHRM5 P08912 2/20 0.42
▸ ADRA2A P08913 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42

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
SCHEMBL16226328 0.73 ACHE (0.63) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL4381279 0.72 PKM (0.49) MEN1KMT2ALMNAMAPTCYP2C9
Hydrochloric Acid SCHEMBL7440651 0.71 ACHE (0.61) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL4387340 0.71 USP30 (0.37) MEN1KMT2ACYP2D6CHRM2ADRA2A
SCHEMBL4377766 0.71 NR3C1 (0.40) MEN1KMT2ALMNAMAPTCYP1A2
SCHEMBL4385542 0.70 KDM4E (0.41) MEN1KMT2ALMNASLC6A3CYP2C9
SCHEMBL4377015 0.70 PKM (0.46) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL10356303 0.70 SLC6A4 (0.70) OPRM1OPRK1MEN1KMT2ALMNA
SCHEMBL2615162 0.70 CYP2D6 (0.79) OPRM1OPRD1OPRK1OPRL1CACNA1B
SCHEMBL9256149 0.70 OPRM1 (0.55) OPRM1OPRD1OPRK1OPRL1CACNA1B

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 OPRM1 55/4885OPRD1 29/4885OPRK1 69/4885

“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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