SCHEMBL3227685

SCHEMBL3227685

CN(C)CCC(=O)NC1C[CH]CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
FASN P49327 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
ALDH1A1 P00352 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 2/20 0.34
TERT O14746 6/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ICMT O60725 1/20 0.33

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
SCHEMBL3221386 0.92 SMN1; SMN2 (0.42) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL3225360 0.92 SMN1; SMN2 (0.43) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL16741512 0.82 SMN1; SMN2 (0.50) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL14174996 0.76 ALDH1A1 (0.53) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9795183 0.76 EPHX2 (0.48) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL9499949 0.76 EPHX2 (0.48) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL12819865 0.75 SMN1; SMN2 (0.43) SMN1; SMN2FASNHDAC3HDAC1HDAC2
SCHEMBL4503819 0.74 MAOA (0.42) SMN1; SMN2HDAC1HDAC6MAPT
SCHEMBL5597120 0.73 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL16569335 0.73 SMYD3 (0.39) SMN1; SMN2ATMHPGDKMT2ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2010-03-11 US disclosed
CN-101454312-A 2-Carbocyclic amino-4-imidazolyl pyrimidines as inhibitors of cell proliferation ASTRAZENECA AB (SE) 2009-06-10 CN disclosed
EP-2029578-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2009-03-04 EP disclosed
WO-2007138277-A1 2-CARBOCYCLOAMINO-4-IMIDAZ0LYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2007-12-06 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-20100063049-A1 2-CARBOCYCLOAMINO-4-IMIDAZOLYLPYRIMIDINES AS AGENTS FOR THE INHBITION OF CELL PROLIFERATION MKI67, CCNI, CDK2 SMN1; SMN2 2839/4885FASN 2545/4885HDAC3 1176/4885

“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.