SCHEMBL3221386

SCHEMBL3221386

CN(C)CCC(=O)NC1C[CH]CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.38
ATM Q13315 1/20 0.38
NCOR2 Q9Y618 1/20 0.37
ICMT O60725 1/20 0.36
ALB P02768 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 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
SCHEMBL3227685 0.92 SMN1; SMN2 (0.38) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3225360 0.84 SMN1; SMN2 (0.43) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL5597120 0.83 SMN1; SMN2 (0.47) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL5596894 0.79 MTNR1A (0.43) SMN1; SMN2ALDH1A1HPGDMAPTNPSR1
SCHEMBL16741512 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL9162363 0.78 GNAI3 (0.55) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL75816 0.76 SMN1; SMN2 (0.40) SMN1; SMN2HDAC3HDAC1HDAC2HDAC10
SCHEMBL3227797 0.75 SIGMAR1 (0.51) SMN1; SMN2ALDH1A1ATMMAPTKMT2A
SCHEMBL7005369 0.73 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDATMMAPT
SCHEMBL5597078 0.73 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1HPGDATMMAPT

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 2839/4885HDAC3 1176/4885HDAC1 189/4885

“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.