SCHEMBL4153276

SCHEMBL4153276

C[C@H]1CNCCN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
OPRD1 P41143 10/20 0.43
USP2 O75604 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 3/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL4153281 1.00 MEN1 (0.53) MEN1KMT2AOPRD1USP2CYP2C9
SCHEMBL28596853 0.91 MEN1 (0.44) MEN1KMT2AOPRD1OPRM1CHRM2
SCHEMBL13169215 0.86 CYP2D6 (0.48) MEN1KMT2AOPRD1CYP2D6OPRM1
SCHEMBL13169216 0.86 CYP2D6 (0.48) MEN1KMT2AOPRD1CYP2D6OPRM1
SCHEMBL27664880 0.83 MEN1 (0.42) MEN1KMT2AOPRD1CYP2D6CHRM2
SCHEMBL21831184 0.83 SIGMAR1 (0.39) OPRD1CYP2D6OPRM1HTR2AHTR2C
SCHEMBL21831186 0.83 SIGMAR1 (0.39) OPRD1CYP2D6OPRM1HTR2AHTR2C
SCHEMBL21831877 0.83 SIGMAR1 (0.39) OPRD1CYP2D6OPRM1HTR2AHTR2C
SCHEMBL21831479 0.83 CYP2D6 (0.56) OPRD1USP2CYP2C19CYP2D6CYP3A4
SCHEMBL15093683 0.83 CYP2D6 (0.56) OPRD1USP2CYP2C19CYP2D6CYP3A4

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 12 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-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
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 (3 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

“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.