SCHEMBL4394040

SCHEMBL4394040

O=C(CN1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.49
▸ TACR1 P25103 4/20 0.45
▸ CCR5 P51681 2/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ POLB P06746 1/20 0.41

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 0.87 ALDH1A1 (0.49) TACR1KMT2ACA1CA2CA7
SCHEMBL4383906 0.77 POLB (0.54) CCR2TACR1KMT2ANPC1RAB9A
SCHEMBL4393044 0.76 S1PR2 (0.50) KMT2A
SCHEMBL3949806 0.68 BACE1 (0.62) CCR2TACR1KMT2ANPC1RAB9A
SCHEMBL4384919 0.66 HTT (0.48) —
SCHEMBL4383702 0.66 LMNA (0.51) KMT2APOLB
SCHEMBL18084188 0.65 CCR2 (1.00) CCR2TACR1CCR5
SCHEMBL9912171 0.65 CCR2 (1.00) CCR2TACR1CCR5
SCHEMBL4391368 0.65 RAB9A (0.41) KMT2ARAB9APOLB
SCHEMBL9912158 0.65 CCR2 (1.00) CCR2TACR1CCR5

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
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
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 CCR2 1272/4885TACR1 381/4885CCR5 1902/4885

“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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