SCHEMBL20609338

SCHEMBL20609338

CCC(Cc1ccccn1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.50
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
FDPS P14324 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HRH1 P35367 1/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL4967833 0.84 PTPRA (0.53) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13272888 0.81 GRIN2D (0.50) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7566490 0.81 GRIN2D (0.50) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23791946 0.80 ALDH1A1 (0.46) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
Hydrazine SCHEMBL2567074 0.80 HRH1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20128507 0.79 GRIN2D (0.52) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20153445 0.79 GRIN2D (0.52) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23765410 0.79 GRIN2D (0.52) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2352782 0.78 GRIN2D (0.55) PTPRAGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL104860 0.78 GRIN2D (0.55) PTPRAGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10458995-B2 Combinatorial synthesis and biomarker development TEN30 BIOSCIENCES, INC. 2019-10-29 US disclosed
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT TEN30 BIOSCIENCES, INC. 2019-04-18 US disclosed
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity NORTHWESTERN UNIVERSITY (US) 2019-01-01 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-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT APP, PSEN2, PSEN1 PTPRA 2648/4885GRIN2D 219/4885GRIN3B 134/4885
US-10167270-B2 Substituted quinazoline compounds and uses thereof for modulating glucocerebrosidase activity GBA1, GAA, GBA2 PTPRA 3199/4885GRIN2D 1338/4885GRIN3B 551/4885
US-10458995-B2 Combinatorial synthesis and biomarker development APP, PSEN2, PSEN1 PTPRA 2667/4885GRIN2D 227/4885GRIN3B 136/4885

“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.