SCHEMBL4190719

SCHEMBL4190719

O=C1CNc2cc(CC3CCCN(C(=O)O)C3)ccc2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
EED O75530 2/20 0.36
TBXA2R P21731 1/20 0.35
HRH1 P35367 1/20 0.35
TACR3 P29371 1/20 0.35
ALDH1A1 P00352 2/20 0.34
EPHX2 P34913 2/20 0.34
FAAH O00519 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
CCR3 P51677 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP10 P09238 1/20 0.32

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
SCHEMBL4182378 0.86 CYP2C9 (0.42) ALDH1A1
SCHEMBL4186610 0.79 EED (0.38) HSD11B1EEDTBXA2RHRH1TACR3
SCHEMBL4179927 0.79 GRIN2D (0.37) ALDH1A1FAAHSPR
SCHEMBL31324479 0.71 TACR3 (0.62) HSD11B1TACR3ALDH1A1FAAHLMNA
SCHEMBL31326493 0.71 HSD11B1 (0.49) HSD11B1TACR3ALDH1A1EPHX2POLB
SCHEMBL21358908 0.71 ALDH1A1 (0.51) HSD11B1TACR3ALDH1A1PSEN1PSEN2
SCHEMBL5582580 0.71 HSD11B1 (0.49) HSD11B1EEDTACR3EPHX2CCR3
SCHEMBL4957233 0.71 ALDH1A1 (0.51) HSD11B1TACR3ALDH1A1PSEN1PSEN2
SCHEMBL28131904 0.71 EPHX2 (0.56) HSD11B1TACR3EPHX2FAAHLMNA
SCHEMBL28922174 0.70 EPHX2 (0.47) HSD11B1EEDTACR3ALDH1A1EPHX2

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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2009-02-12 US disclosed
WO-2008150848-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS WYETH (US) 2008-12-11 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-20090042874-A1 ANTIDEPRESSANT HETEROARYL DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXANS HTR5A, CRH, CYP17A1 HSD11B1 52/4885EED 1292/4885TBXA2R 665/4885

“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.