SCHEMBL1780879

SCHEMBL1780879

CN1[C@@H]2CCC[C@H]1C[C@@H](NC(=O)c1ccc(N)c(F)c1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR3A P46098 7/20 0.49
HTR3E A5X5Y0 1/20 0.49
SLC22A2 O15244 1/20 0.49
HTR3B O95264 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
KCNH2 Q12809 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
POLB P06746 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
OPRK1 P41145 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL1780880 1.00 MEN1 (0.55) MEN1KMT2AHTR3AHTR3ESLC22A2
SCHEMBL3543722 1.00 MEN1 (0.55) MEN1KMT2AHTR3AHTR3ESLC22A2
SCHEMBL3543720 1.00 MEN1 (0.55) MEN1KMT2AHTR3AHTR3ESLC22A2
SCHEMBL1784976 0.84 CYP2D6 (0.62) MEN1KMT2AHTR3ACYP2D6CYP2C9
SCHEMBL3540892 0.84 CYP2D6 (0.62) MEN1KMT2AHTR3ACYP2D6CYP2C9
SCHEMBL1784978 0.84 CYP2D6 (0.62) MEN1KMT2AHTR3ACYP2D6CYP2C9
SCHEMBL3549231 0.82 HTR4 (0.52) HTR3AHTR3ESLC22A2HTR3BCHRNB2
SCHEMBL10093289 0.80 HDAC1 (0.63) MEN1KMT2AKCNH2HDAC1HDAC6
SCHEMBL3543621 0.80 HDAC6 (0.52) KCNH2HDAC1HDAC6HPGD
SCHEMBL3550487 0.79 GAA (0.55) HTR3AHRH3

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (2 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 MEN1 167/4885KMT2A 3089/4885HTR3A 4560/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 MEN1 1408/4885KMT2A 4680/4885HTR3A 2998/4885

“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.