SCHEMBL18787606

SCHEMBL18787606

CC(C)(C)OC(=O)N1CCc2ccccc2[C@@H]1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 12/20 0.47
ACE P12821 2/20 0.44
NR1H2 P55055 1/20 0.43
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
MAPK1 P28482 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
SCHEMBL6608146 1.00 GHSR (0.47) GHSRACENR1H2PRMT5WDR77
SCHEMBL18066415 0.88 ACE (0.56) GHSRACE
SCHEMBL29560869 0.88 ACE (0.56) GHSRACE
SCHEMBL605316 0.88 ACE (0.56) GHSRACE
SCHEMBL14744581 0.88 ACE (0.56) GHSRACE
SCHEMBL30310636 0.88 ACE (0.56) GHSRACE
SCHEMBL6608138 0.87 GHSR (0.46) GHSRACENR1H2PRMT5WDR77
SCHEMBL6251794 0.87 MEN1 (0.44) GHSRACENR1H2PRMT5WDR77
SCHEMBL25142645 0.86 GHSR (0.47) GHSRACE
SCHEMBL7702856 0.85 ACE (0.46) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802934-B2 Process for the synthesis of (R)-praziquantel TONGLI BIOMEDICAL CO., LTD. (CN) 2017-10-31 US disclosed
US-9802934-B2 Process for the synthesis of (R)-praziquantel TONGLI BIOMEDICAL CO., LTD. (CN) 2017-10-31 US disclosed
US-9802934-B2 Process for the synthesis of (R)-praziquantel TONGLI BIOMEDICAL CO., LTD. (CN) 2017-10-31 US disclosed
US-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2017-05-04 US disclosed
US-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2017-05-04 US disclosed
US-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL TONGLI BIOMEDICAL CO., LTD (CN) 2017-05-04 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-20170121330-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF (R)-PRAZIQUANTEL COASY, CYP3A4, CYP4B1 GHSR 4426/4885ACE 456/4885NR1H2 483/4885

“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.