SCHEMBL13040179

SCHEMBL13040179

O=C(O)CCCC1COCC(c2ccccc2)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.40
EGFR P00533 1/20 0.37
HTT P42858 1/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35

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
SCHEMBL8038896 0.82 FFAR4 (0.35) S1PR4S1PR1S1PR5S1PR3
SCHEMBL8038888 0.82 FFAR4 (0.35) S1PR4S1PR1S1PR5S1PR3
Hydrochloric Acid SCHEMBL3407570 0.81 FFAR4 (0.34) S1PR4S1PR1S1PR5
SCHEMBL16553583 0.67 PNMT (0.38) SMN1; SMN2MAPTALDH1A1
SCHEMBL16564923 0.67 PNMT (0.38) SMN1; SMN2MAPTALDH1A1
SCHEMBL8513587 0.66 S1PR4 (0.49) S1PR4S1PR1S1PR5S1PR3
SCHEMBL21465848 0.66 TSHR (0.41) TBXA2RSMN1; SMN2ALDH1A1
SCHEMBL28188194 0.66 TSHR (0.41) TBXA2RSMN1; SMN2ALDH1A1
SCHEMBL8513627 0.66 S1PR4 (0.49) S1PR4S1PR1S1PR5S1PR3
SCHEMBL7294639 0.65 SMN1; SMN2 (0.41) ADRA1ASLC6A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-04 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 (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-20100280243-A1 PROCESS FOR PRODUCTION OF 4- (SUBSTITUTED PHENYL) HEXAHYDROPYRIDO [2,1-C] [1,4] OXAZIN-6-ONE PSEN1, APP, BACE1 TBXA2R 4737/4885EGFR 3356/4885HTT 39/4885

“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.