SCHEMBL8218922

SCHEMBL8218922

O=C(CCN1CCN(c2ccccc2)CC1)N1CCC(=NOCc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 7/20 0.52
HTR1A P08908 6/20 0.52
SIGMAR1 Q99720 2/20 0.49
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.46

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
Hydrochloric Acid SCHEMBL4384778 0.99 HTR7 (0.51) HTR7HTR1ASIGMAR1MAPTALDH1A1
SCHEMBL8212151 0.89 KMT2A (0.45) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL8221599 0.89 KMT2A (0.45) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL8218596 0.88 KMT2A (0.48) SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL4383617 0.88 KMT2A (0.44) MAPTALDH1A1KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL4376998 0.88 KMT2A (0.45) MAPTALDH1A1KMT2ALMNAPOLB
Hydrochloric Acid SCHEMBL4387884 0.88 KMT2A (0.48) SMN1; SMN2KMT2ALMNA
SCHEMBL4393097 0.88 KMT2A (0.43) HTR7HTR1AMAPTALDH1A1KMT2A
SCHEMBL8218080 0.86 CHRM4 (0.45) SIGMAR1DRD2KMT2A
SCHEMBL8210795 0.86 TACR1 (0.44)

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
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 HTR7 1303/4885HTR1A 768/4885SIGMAR1 66/4885

“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.