SCHEMBL1337600

SCHEMBL1337600

CCN(CC)C(F)(F)c1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.46
CYP2A6 P11509 4/20 0.41
CYP1A2 P05177 3/20 0.41
SLC6A4 P31645 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1337626 0.95 PTPN1 (0.41) PTPN1CYP2A6CYP1A2SLC6A4CYP3A4
SCHEMBL812047 0.77 ALDH1A1 (0.44) PTPN1CYP2D6SIGMAR1
SCHEMBL812265 0.74 KIF11 (0.52)
SCHEMBL295494 0.73 LMNA (0.40) CYP1A2CYP3A4CYP2D6KCNH2TDP1
SCHEMBL18936186 0.72 PTPN1 (0.55) PTPN1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL16439916 0.72 PTPN1 (0.55) PTPN1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL4427051 0.72 KIF11 (0.42) CYP3A4KCNH2TDP1
SCHEMBL30706974 0.72 PTPN1 (0.59) PTPN1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL1538767 0.72 PTPN1 (0.59) PTPN1CYP2A6CYP1A2CYP3A4TDP1
SCHEMBL30985267 0.72 PTPN1 (0.59) PTPN1CYP2A6CYP1A2CYP3A4TDP1

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-8063205-B2 Method for producing 2-oxazoline analogue or 1,3-oxazine analogue NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2011-11-22 US disclosed
US-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2009-11-12 US disclosed
EP-1956012-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE National University Corporation Hokkaido University (JP) 2008-08-13 EP 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-20090281309-A1 METHOD FOR PRODUCING 2-OXAZOLINE ANALOGUE OR 1,3-OXAZINE ANALOGUE OXA1L, SULT1A1, DAO PTPN1 3271/4885CYP2A6 832/4885CYP1A2 100/4885

“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.