SCHEMBL3513581

SCHEMBL3513581

COc1c[c]ccc1OCCCN1CCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
CYP2D6 P10635 3/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 1/20 0.37
QPCT Q16769 1/20 0.36
CYP1A2 P05177 2/20 0.36
CHRM2 P08172 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL3512153 0.94 POLB (0.38) QPCTCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL17181753 0.86 POLB (0.43) QPCTCYP1A2CHRM2SLC6A4OPRD1
SCHEMBL3515182 0.83 CYP2D6 (0.55) HRH3CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL3514854 0.82 ABCB1 (0.45) HRH3CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL3514642 0.80 CYP2D6 (0.42) CYP2D6CYP2C19TSHRCYP1A2MEN1
SCHEMBL3515962 0.80 TSHR (0.60) HRH2HRH1HRH3CYP2D6CYP2C19
SCHEMBL2976035 0.76 POLB (0.56) CYP2D6CYP2C19TSHRCYP1A2MEN1
SCHEMBL2976094 0.75 POLB (0.55) HRH1CYP2D6CYP2C19TSHRCYP1A2
SCHEMBL3514397 0.75 POLB (0.44) MEN1KMT2ADRD2TDP1
SCHEMBL3435110 0.74 KDM4E (0.54) HRH3CYP2D6CYP2C19TSHRCYP1A2

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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors CAPRARO HANS-GEORG 2010-12-02 US disclosed
EP-2155753-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138834-A1 SUBSTITUTED IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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-20100305113-A1 Substituted Imidazopyridazines as Lipid Kinase Inhibitors PI4KA, PIK3CA, PIK3CB HRH2 2584/4885HRH1 2274/4885HRH3 3174/4885

“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.