SCHEMBL13330632

SCHEMBL13330632

CC1(c2ccccn2)CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.43
KDM1A O60341 4/20 0.38
MAOB P27338 1/20 0.38
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
SLC6A2 P23975 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIN1 Q13526 1/20 0.33

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
SCHEMBL6902549 0.77 SIGMAR1 (0.43) SIGMAR1KDM1AMAOBGRIN1GRIN2A
SCHEMBL7609559 0.76 KDM1A (0.39) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL14489209 0.75 KDM1A (0.42) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL8849610 0.73 SIGMAR1 (0.50) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL1515317 0.70 GRIN1 (0.46) GRIN1GRIN2AGRIN2BSLC6A2TDP1
Methyl Alcohol SCHEMBL14815696 0.69 KDM1A (0.46) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL8865262 0.68 KDM1A (0.47) SIGMAR1KDM1AMEN1KMT2A
SCHEMBL13330631 0.68 OPRL1 (0.37) SIGMAR1KDM1AGRIN1GRIN2BMEN1
SCHEMBL7457135 0.68 KDM1A (0.42) SIGMAR1KDM1AMAOBALDH1A1TP53
SCHEMBL28617264 0.68 KDM1A (0.42) SIGMAR1KDM1AMAOBALDH1A1TP53

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-20100121065-A1 Phosphors with High Luminous Efficiency and Display Device Containing Them GRACEL DISPLAY INC. (KR) 2010-05-13 US disclosed
US-20100121065-A1 Phosphors with High Luminous Efficiency and Display Device Containing Them GRACEL DISPLAY INC. (KR) 2010-05-13 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-20100121065-A1 Phosphors with High Luminous Efficiency and Display Device Containing Them PPIP5K2, ACP1, INPP5B SIGMAR1 2511/4885KDM1A 4615/4885MAOB 2562/4885

“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.