SCHEMBL8012012

SCHEMBL8012012

CCCC(=O)N1CCC[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL11892759 1.00 HPGD (0.45) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL11892762 1.00 HPGD (0.45) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL13412867 0.94 HPGD (0.51) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL11892712 0.94 HPGD (0.51) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL30110380 0.86 L3MBTL1 (0.51) KMT2AMEN1POLBMAPT
SCHEMBL10118393 0.85 HPGD (0.45) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL13674784 0.84 HPGD (0.47) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL14301360 0.84 HPGD (0.47) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL13245892 0.84 HPGD (0.47) HPGDSMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL29191664 0.84 KMT2A (0.51) HPGDSMN1; SMN2CHRM2CHRM4CHRM1

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-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 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 (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-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HPGD 1731/4885SMN1; SMN2 1036/4885CHRM2 3564/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 HPGD 1731/4885SMN1; SMN2 1036/4885CHRM2 3564/4885

“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.