SCHEMBL4765883

SCHEMBL4765883

COc1cc(N2CCC(CN3CCOCC3)C2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.46
HTR1A P08908 7/20 0.45
HTR7 P34969 5/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
PDE10A Q9Y233 2/20 0.45
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
TTK P33981 1/20 0.43
GAA P10253 1/20 0.42
JAK2 O60674 1/20 0.42
CHEK1 O14757 1/20 0.41
DPP4 P27487 3/20 0.41
LGMN Q99538 1/20 0.41
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL13178108 0.93 TTK (0.48) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL3712921 0.82 ALDH1A1 (0.55) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL309313 0.81 ACHE (0.44) HTR1AHTR7LMNAALDH1A1MAPT
SCHEMBL519583 0.81 PRKDC (0.41) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL519585 0.81 PRKDC (0.41) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL519584 0.81 PRKDC (0.41) PRKDCHTR1AHTR7ADRA1DADRA1A
SCHEMBL310164 0.80 GAA (0.45) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL520455 0.80 SMPD3 (0.44) THRBTTKJAK2CHEK1DPP4
SCHEMBL2362548 0.80 DPP4 (0.47) ADRA1BDPP4LGMNKDM4EUSP2
SCHEMBL14180536 0.79 CHEK1 (0.51) THRBGAAJAK2CHEK1LGMN

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 PRKDC 1140/4885HTR1A 4663/4885HTR7 3906/4885

“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.