SCHEMBL1338545

SCHEMBL1338545

FC(F)(c1ccccc1)N1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.55
ALDH1A1 P00352 2/20 0.44
TSHR P16473 1/20 0.44
LTA4H P09960 1/20 0.40
KCNH2 Q12809 5/20 0.39
CYP2D6 P10635 4/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
HTR1A P08908 2/20 0.39
OPRM1 P35372 2/20 0.39
LMNA P02545 2/20 0.39
CHRM3 P20309 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 1/20 0.37
DRD3 P35462 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL1337702 0.98 CYP2B6 (0.59) CYP2B6ALDH1A1TSHRLTA4HKCNH2
SCHEMBL1336544 0.81 LMNA (0.45) ALDH1A1TSHRCYP2D6OPRM1LMNA
SCHEMBL12469656 0.80 CYP2B6 (0.59) CYP2B6ALDH1A1TSHRLTA4HKCNH2
SCHEMBL11201380 0.78 CYP2B6 (0.52) CYP2B6TSHRKCNH2CYP2D6CHRM2
SCHEMBL2392136 0.76 CYP2B6 (0.59) CYP2B6ALDH1A1TSHRKCNH2CYP2D6
SCHEMBL19296941 0.74 CYP2B6 (0.63) CYP2B6TSHRKCNH2CYP2D6CHRM2
SCHEMBL2491599 0.74 CYP2B6 (0.63) CYP2B6TSHRKCNH2CYP2D6CHRM2
SCHEMBL11201378 0.74 CYP2B6 (0.52) CYP2B6TSHRKCNH2CYP2D6CHRM2
SCHEMBL11201375 0.74 CYP2B6 (0.52) CYP2B6ALDH1A1TSHRKCNH2CYP2D6
SCHEMBL3001628 0.73 CYP2B6 (0.55) CYP2B6KCNH2CYP2D6CHRM2CHRM1

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 CYP2B6 436/4885ALDH1A1 41/4885TSHR 1049/4885

“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.