SCHEMBL18607397

SCHEMBL18607397

O=C(NCc1nccc2ccccc12)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
USP2 O75604 1/20 0.52
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
EPHX2 P34913 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TSHR P16473 2/20 0.46
KDM4E B2RXH2 3/20 0.46
ALOX12 P18054 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
CYP3A4 P08684 2/20 0.45
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL13203843 0.80 NPY5R (0.47) HPGDALDH1A1SMN1; SMN2EPHX2ADORA2A
SCHEMBL10113307 0.80 NPY5R (0.47) HPGDALDH1A1SMN1; SMN2EPHX2ADORA2A
SCHEMBL10114096 0.79 EPHX2 (0.39) ALDH1A1EPHX2ADORA2AADORA1TSHR
SCHEMBL17842468 0.79 CACNA1G (0.53) NPC1RAB9ASMN1; SMN2PKMEPHX2
SCHEMBL2990333 0.78 ADORA2A (0.53) RAB9ASMN1; SMN2ADORA2AADORA1TSHR
SCHEMBL10353331 0.77 TSHR (0.70) HPGDSMN1; SMN2PKMTSHRKDM4E
SCHEMBL8321173 0.77 TSHR (0.70) HPGDSMN1; SMN2PKMTSHRKDM4E
SCHEMBL22501729 0.76 ADORA2A (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL18586919 0.76 ADORA2A (0.52) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31606595 0.76 ADORA2A (0.52) HPGDALDH1A1NPC1RAB9ASMN1; SMN2

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
CN-108026047-B Praziquantel and method for producing precursor thereof 默克专利股份公司 2025-06-03 CN disclosed
EP-3344605-B1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2020-05-13 EP disclosed
US-10273213-B2 Method for the production of praziquantel and precursors thereof MERCK PATENT GMBH (DE) 2019-04-30 US disclosed
WO-2017036577-A1 METHOD FOR THE PRODUCTION OF PRAZIQUANTEL AND PRECURSORS THEREOF MERCK PATENT GMBH (DE) 2017-03-09 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 (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-10273213-B2 Method for the production of praziquantel and precursors thereof CYP51A1, POR, DHPS HPGD 199/4885ALDH1A1 519/4885USP2 1893/4885

“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.