SCHEMBL6530831

SCHEMBL6530831

CCOC(=O)C1(O)CCN(Cc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
LMNA P02545 2/20 0.62
KMT2A Q03164 6/20 0.61
ALDH1A1 P00352 5/20 0.61
MEN1 O00255 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
L3MBTL1 Q9Y468 3/20 0.60
POLB P06746 1/20 0.60
GAA P10253 2/20 0.58
HTT P42858 1/20 0.58
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
OPRM1 P35372 3/20 0.56
OPRD1 P41143 3/20 0.56
OPRK1 P41145 2/20 0.56
P4HB P07237 1/20 0.56
SIGMAR1 Q99720 1/20 0.54

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
SCHEMBL2817086 0.87 CYP2D6 (0.67) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14456683 0.86 KDM4E (0.67) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL8809190 0.86 CYP3A4 (0.66) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL3498095 0.86 CYP2D6 (0.56) CYP2D6CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL4609435 0.85 CYP3A4 (0.65) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1290759 0.85 CYP3A4 (0.65) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL20502739 0.84 KDM4E (0.63) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL11282136 0.84 OPRM1 (0.80) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10500225 0.84 CYP2D6 (0.63) CYP2D6CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL26102667 0.84 LMNA (0.69) CYP2D6CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2024-04-18 US disclosed
EP-4263520-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2023-10-25 EP disclosed
WO-2022133529-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-06-30 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO disclosed
CN-1019494-B PROCESS FOR THE PRODUCTION OF CEPHEM DERIVATIVES AND INTERMEDIATES THERE OF EISAI CO LTD (JP) 1992-12-16 CN disclosed
US-5010188-A Cephem derivatives EISAI CO., LTD. (JP) 1991-04-23 US disclosed
US-5008260-A Bactericides EISAI CO., LTD. (JP) 1991-04-16 US disclosed
EP-0188255-B1 CEPHEM DERIVATIVES Eisai Co., Ltd. (JP) 1991-04-03 EP disclosed
US-4748171-A Cephem compounds having at the 3-position a (1,4-methylene-1-piperidinio)methyl group or a (1-quinuclidinio)methyl group EISAI CO., LTD. (JP) 1988-05-31 US disclosed
EP-0188255-A2 Cephem derivatives Eisai Co., Ltd. (JP) 1986-07-23 EP disclosed
CN-86100852-A Mould poison nuclear (Cephem) derivative of cephalo and intermediates preparation thereof 1986-07-09 CN 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-20240124428-A1 HETEROCYCLIC INHIBITORS OF PCSK9 PCSK9, PCSK7, PCSK6 CYP2D6 1057/4885CYP3A4 1083/4885CYP2C9 548/4885

“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.