SCHEMBL4158804

SCHEMBL4158804

O=C(c1ccccc1)c1ccc2c(c1)OCCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 8/20 1.00
MAPT P10636 2/20 0.79
NPSR1 Q6W5P4 1/20 0.79
KMT2A Q03164 3/20 0.64
SMN1; SMN2 Q16637 5/20 0.62
HPGD P15428 3/20 0.62
TP53 P04637 1/20 0.62
SRD5A2 P31213 1/20 0.61
ALDH1A1 P00352 4/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CTNNB1 P35222 2/20 0.60
MEN1 O00255 2/20 0.57
CNR2 P34972 1/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 2/20 0.57

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
SCHEMBL26499247 0.93 NPSR1 (0.90) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL6132031 0.93 NPSR1 (0.90) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL26499244 0.92 NPSR1 (0.88) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL7816239 0.86 SRD5A2 (0.81) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL4824992 0.84 NPSR1 (0.74) NPC1RAB9AMAPTNPSR1SMN1; SMN2
SCHEMBL3064183 0.82 ALDH1A1 (0.72) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL7808230 0.79 NPC1 (0.65) NPC1RAB9AMAPTNPSR1SRD5A2
SCHEMBL6658798 0.78 MAPT (0.67) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL31164296 0.78 MAPT (0.67) NPC1RAB9AMAPTNPSR1KMT2A
SCHEMBL16784087 0.78 ALDH1A1 (0.66) NPC1RAB9AMAPTNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663476-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2017-05-30 US disclosed
EP-2947067-A1 Glycine transporter-1 inhibitors Amgen, Inc (US) 2015-11-25 EP disclosed
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2015-10-29 US disclosed
US-8735383-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2014-05-27 US disclosed
EP-2041088-B1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC (US) 2014-01-08 EP disclosed
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP disclosed
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2012-08-02 US disclosed
US-8183244-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2012-05-22 US disclosed
US-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS HITCHCOCK STEPHEN 2009-09-10 US disclosed
US-7538114-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2009-05-26 US disclosed
US-20080004289-A1 Glycine transporter-1 inhibitors AMGEN INC. 2008-01-03 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 (4 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-20090227595-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 NPC1 58/4885RAB9A 1437/4885MAPT 146/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 NPC1 68/4885RAB9A 1520/4885MAPT 146/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 NPC1 58/4885RAB9A 1437/4885MAPT 146/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 NPC1 58/4885RAB9A 1437/4885MAPT 146/4885

“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.