SCHEMBL3404255

SCHEMBL3404255

COCCCNCOCCN(C)CC[C@H](N)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
AOC3 Q16853 1/20 0.33
LTA4H P09960 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MMP1 P03956 1/20 0.31
CYP2D6 P10635 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
KCNH2 Q12809 1/20 0.31
FDPS P14324 1/20 0.31

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
SCHEMBL4066280 0.83 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3ALDH1A1AOC3
SCHEMBL3404257 0.81 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1AOC3
SCHEMBL4066408 0.70 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1AOC3
SCHEMBL4067931 0.67 CFD (0.49) SLC6A2SLC6A4SLC6A3AOC3KCNH2
SCHEMBL4578371 0.64 AOC3 (0.44) SLC6A2SLC6A4SLC6A3AOC3CYP2D6
SCHEMBL16334289 0.64 AOC3 (0.44) SLC6A2SLC6A4SLC6A3AOC3CYP2D6
SCHEMBL2415110 0.64 AOC3 (0.44) SLC6A2SLC6A4SLC6A3AOC3CYP2D6
Hydrochloric Acid SCHEMBL27833790 0.63 IDO1 (0.45) SLC6A2SLC6A4SLC6A3AOC3CYP2D6
Hydrochloric Acid SCHEMBL27833791 0.63 IDO1 (0.45) SLC6A2SLC6A4SLC6A3AOC3CYP2D6
SCHEMBL21798457 0.63 ALDH1A1 (0.52) ALDH1A1KMT2APOLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases ASTRAZENECA AB (SE) 2007-06-21 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 (2 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-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 SLC6A2 4716/4885SLC6A4 4244/4885SLC6A3 4041/4885
US-20070142413-A1 Pyrazole derivatives as inhibitors of receptor tyrosone kinases PRKDC, MUSK, LTK SLC6A2 4435/4885SLC6A4 3970/4885SLC6A3 3481/4885

“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.