SCHEMBL4148740

SCHEMBL4148740

Brc1cccc(C(c2ccccc2)N2CCNCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.72
KMT2A Q03164 1/20 0.72
OPRD1 P41143 13/20 0.57
USP2 O75604 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MGLL Q99685 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP19A1 P11511 1/20 0.50
SLC6A9 P48067 2/20 0.49

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
SCHEMBL16757183 0.85 MEN1 (0.79) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL2794662 0.85 MEN1 (1.00) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL219432 0.85 MEN1 (1.00) MEN1KMT2AOPRD1USP2CYP2C9
Hydrochloric Acid SCHEMBL7006476 0.83 MEN1 (0.96) MEN1KMT2AOPRD1USP2CYP2C9
Hydrochloric Acid SCHEMBL11456225 0.83 MEN1 (0.96) MEN1KMT2AOPRD1USP2CYP2C9
Fluoride SCHEMBL27959930 0.83 MEN1 (0.96) MEN1KMT2AOPRD1USP2CYP2C9
Piperazine SCHEMBL28229145 0.83 MEN1 (0.96) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL27485345 0.83 MEN1 (0.96) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL4146271 0.81 SLC6A9 (0.59) MEN1KMT2AMGLLCYP2D6SLC6A9
SCHEMBL27770322 0.81 SLC6A9 (0.59) MEN1KMT2AMGLLCYP2D6SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565183-A1 Glycine transporter-1 inhibitors Amgen Inc. (US) 2013-03-06 EP claimed
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
CN-101479243-B Glycine transporter-1 inhibitors AMGEN INC 2013-01-02 CN 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
CN-101479243-A Glycine transporter-1 inhibitors AMGEN INC (US) 2009-07-08 CN disclosed
US-7538114-B2 Glycine transporter-1 inhibitors AMGEN INC. (US) 2009-05-26 US disclosed
EP-2041088-A1 GLYCINE TRANSPORTER-1 INHIBITORS Amgen Inc. (US) 2009-04-01 EP disclosed
WO-2008002583-A1 GLYCINE TRANSPORTER-1 INHIBITORS AMGEN INC. (US) 2008-01-03 WO 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 MEN1 2625/4885KMT2A 843/4885OPRD1 2137/4885
US-20120195985-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC6A5, SLC1A2 MEN1 2632/4885KMT2A 947/4885OPRD1 2031/4885
US-20080004289-A1 Glycine transporter-1 inhibitors SLC18A2, SLC7A11, SLC6A5 MEN1 2625/4885KMT2A 843/4885OPRD1 2137/4885
US-20150307457-A1 GLYCINE TRANSPORTER-1 INHIBITORS SLC18A2, SLC7A11, SLC6A5 MEN1 2625/4885KMT2A 843/4885OPRD1 2137/4885

“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.