SCHEMBL17954124

SCHEMBL17954124

O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc3c(c2)OCC3)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.62
▸ ALDH1A1 P00352 5/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ HRH4 Q9H3N8 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HPGD P15428 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ FAAH O00519 1/20 0.51
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TP53 P04637 1/20 0.48

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
SCHEMBL16599028 0.84 ALDH1A1 (0.78) GRIN2BALDH1A1HSD17B10MAPTFAAH
Befuraline SCHEMBL30036410 0.81 GRIN2B (0.91) GRIN2BALDH1A1HRH4POLBMAPT
Befuraline SCHEMBL499156 0.81 GRIN2B (0.91) GRIN2BALDH1A1HRH4POLBMAPT
SCHEMBL4991177 0.80 GRIN2B (0.77) GRIN2BALDH1A1HRH4POLBMAPT
Befuraline SCHEMBL4320804 0.80 GRIN2B (0.88) GRIN2BALDH1A1HRH4POLBMAPT
SCHEMBL17954131 0.79 FAAH (0.48) ALDH1A1HPGDMEN1KMT2AFAAH
SCHEMBL30518143 0.76 GRIN2B (0.69) GRIN2BALDH1A1HRH4POLBMAPT
SCHEMBL29078102 0.76 GRIN2B (0.69) GRIN2BALDH1A1HRH4POLBMAPT
SCHEMBL6501271 0.74 GRIN2B (0.70) GRIN2BALDH1A1HRH4POLBMAPT
SCHEMBL16598855 0.72 GRIN2B (0.71) GRIN2BALDH1A1HRH4POLBMAPT

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 — — US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 — — 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS GRIN2B 1194/4885ALDH1A1 4277/4885HSD17B10 3712/4885

“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.

Send feedback