SCHEMBL4377734

SCHEMBL4377734

FC(F)(F)c1cccc(CON=C2CCNCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
TACR1 P25103 1/20 0.49
HTR2C P28335 5/20 0.48
HTR2B P41595 2/20 0.48
HTR6 P50406 1/20 0.44
MAOB P27338 3/20 0.44
SLC6A4 P31645 5/20 0.43
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MMP1 P03956 1/20 0.41
MMP12 P39900 1/20 0.41
MIF P14174 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTR1D P28221 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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 SCHEMBL4388271 0.99 IDO1 (0.51) IDO1TACR1HTR2CHTR2BHTR6
SCHEMBL4410979 0.78 MEN1 (0.48) IDO1MAOBMMP1MMP12
SCHEMBL2312874 0.78 NPC1 (0.51) TACR1HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL4382904 0.77 LMNA (0.45) IDO1TACR1MAOBALDH1A1
Hydrochloric Acid SCHEMBL4391643 0.76 NPC1 (0.50) TACR1HTR2CHTR2BSLC6A4SLC6A2
SCHEMBL4385367 0.75 HTT (0.51) ALDH1A1
SCHEMBL4388294 0.75 MEN1 (0.51) IDO1MAOBALDH1A1
SCHEMBL17986313 0.75 IDO1 (0.64) IDO1HTR2CHTR2BMAOBTAAR1
SCHEMBL4391011 0.74 LMNA (0.54) ALDH1A1
SCHEMBL4379552 0.74 LMNA (0.52) ALDH1A1

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
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 IDO1 305/4885TACR1 381/4885HTR2C 360/4885

“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.