SCHEMBL268067

SCHEMBL268067

CCOC(=O)C(CC)C(C#N)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.31
HSD17B10 Q99714 1/20 0.30
CYP2C9 P11712 1/20 0.30
PPID Q08752 1/20 0.30

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
SCHEMBL268058 1.00 MEN1 (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL268072 1.00 MEN1 (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL31164267 1.00 MEN1 (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL2223205 0.83 GABRP (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL261165 0.82 LMNA (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL2637205 0.82 LMNA (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL8274565 0.82 ALDH1A1 (0.36) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL261164 0.82 LMNA (0.37) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL28520075 0.81 KMT2A (0.33) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL28342663 0.80 RNPEP (0.38) MEN1KMT2AALDH1A1LMNA

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-8134023-B2 Preparation of pregabalin and related compounds PFIZER INC (US) 2012-03-13 US disclosed
US-20120015412-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2012-01-19 US disclosed
US-8044227-B2 Preparation of pregabalin and related compounds PFIZER INC. (US) 2011-10-25 US disclosed
US-20110065168-A1 Preparation of Pregabalin and Related Compounds PFIZER INC 2011-03-17 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 (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-20110065168-A1 Preparation of Pregabalin and Related Compounds GABRE, GABRG1, GABRA6 MEN1 4300/4885KMT2A 2049/4885GAA 151/4885

“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.