SCHEMBL7046563

SCHEMBL7046563

CNC1CCCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.53
KDM1A O60341 5/20 0.50
MAOB P27338 4/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
SSTR4 P31391 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR2C P28335 1/20 0.43
MAOA P21397 3/20 0.42
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL20833256 1.00 GRIA4 (0.53) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL26721601 1.00 GRIA4 (0.53) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL19493576 0.96 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL13076110 0.96 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL22754979 0.96 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL13452615 0.96 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL13075268 0.96 GRIA4 (0.57) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL22260111 0.88 KDM1A (0.53) GRIA4KDM1AMAOBADRA2AHTR2C
SCHEMBL5019411 0.79 GRIA4 (0.49) GRIA4KDM1AMAOBADRA2AADRA2B
SCHEMBL12354245 0.79 GRIA4 (0.49) GRIA4KDM1AMAOBADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3656777-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME, BACKLIGHT UNIT, AND DISPLAY DEVICE LG CHEM, LTD. (KR) 2020-05-27 EP disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
EP-1296934-A1 CYCLOHEXYLAMINE DERIVATIVES AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2003-04-02 EP disclosed
WO-2001092204-A1 CYCLOHEXYLAMINE DERIVATIVES AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-12-06 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA GRIA4 1209/4885KDM1A 3570/4885MAOB 2882/4885

“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.