SCHEMBL22280550

SCHEMBL22280550

CCN1CCC(NCC(O)CO)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 4/20 0.44
LMNA P02545 1/20 0.39
PTPN11 Q06124 2/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
HRH1 P35367 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
RECQL P46063 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CCR3 P51677 1/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL22520374 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HTTKDM4ELMNAPTPN11
SCHEMBL17340549 0.82 SMN1; SMN2 (0.42) SMN1; SMN2HTTKDM4ELMNAEPHX1
SCHEMBL16015488 0.82 ADRB1 (0.49) SMN1; SMN2HTTKDM4EPTPN11ADRB2
SCHEMBL20980205 0.79 KDM4E (0.44) SMN1; SMN2HTTKDM4EPTPN11ADRB2
SCHEMBL10857129 0.79
SCHEMBL6644034 0.75 KDM4E (0.75) SMN1; SMN2HTTKDM4ELMNAADRB2
SCHEMBL22994955 0.74 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EEPHX1EPHX2RECQL
SCHEMBL16822348 0.74 KDM4E (0.79) SMN1; SMN2HTTKDM4ELMNAADRB2
SCHEMBL3535515 0.74 KDM4E (0.79) SMN1; SMN2HTTKDM4ELMNAADRB2
SCHEMBL2760188 0.73 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EEPHX1EPHX2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS G1 THERAPEUTICS, INC. (US) 2020-09-10 US disclosed
US-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER G1 THERAPEUTICS, INC. (US) 2020-07-30 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-20200239486-A1 PYRIMIDINE-BASED COMPOUNDS FOR THE TREATMENT OF CANCER TYMS, TYMP, DPYD SMN1; SMN2 2349/4885HTT 3145/4885KDM4E 1057/4885
US-20200283406-A1 ANTIPROLIFERATIVE PYRIMIDINE-BASED COMPOUNDS MKI67, TYMS, TYMP SMN1; SMN2 1077/4885HTT 2291/4885KDM4E 1839/4885

“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.