SCHEMBL3595351

SCHEMBL3595351

Clc1cc(N2CCOCC2)nc(CN2CCc3ccccc3C2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.51
SIGMAR1 Q99720 4/20 0.51
ADRA2A P08913 2/20 0.51
ADRA2B P18089 2/20 0.51
DRD4 P21917 2/20 0.51
HRH1 P35367 1/20 0.51
HTR2B P41595 1/20 0.51
MAPT P10636 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPK1 P28482 3/20 0.46
HTT P42858 1/20 0.46
AKT1 P31749 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3605796 0.77 PIK3CD (0.54) ATRATRIP
Bromide SCHEMBL3600548 0.73 MAPT (0.49) MAPTCYP1A2CYP2D6KDM4EMAPK1
SCHEMBL3601715 0.72 MAPT (0.65) MAPTCYP1A2CYP2D6KDM4EMAPK1
SCHEMBL13141217 0.72 MAPT (0.60) MAPTCYP1A2CYP2D6KDM4EMAPK1
SCHEMBL18398994 0.72 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KDM4EHTT
SCHEMBL3599828 0.72 CYP1A2 (0.60) MAPTCYP1A2CYP2D6KDM4EHTT
SCHEMBL3598467 0.72 MAPT (0.60) MAPTCYP1A2CYP2D6KDM4EMAPK1
SCHEMBL1123836 0.71 NAPEPLD (0.62) MAPTKDM4EHTTAKT1NPSR1
SCHEMBL3602068 0.71 KMT2A (0.44) MAPTCYP1A2CYP2D6MAPK1HTT
SCHEMBL3604836 0.71 PIK3CB (0.57) MAPTCYP1A2CYP2D6HTTKMT2A

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
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 TMEM97 1887/4885SIGMAR1 2566/4885ADRA2A 3046/4885

“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.