SCHEMBL8400463

SCHEMBL8400463

CCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.58
CDYL Q9Y232 1/20 0.55
MTNR1A P48039 3/20 0.53
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GPR84 Q9NQS5 1/20 0.49
NQO2 P16083 1/20 0.47
ACP3 P15309 1/20 0.46
P2RX7 Q99572 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MCL1 Q07820 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
SCHEMBL7340131 0.89 TDP1 (0.58) IAPPCDYLMTNR1ATDP1KDM4E
SCHEMBL696105 0.87 MTNR1A (0.48) IAPPCDYLMTNR1ATDP1KDM4E
SCHEMBL9404001 0.86 MTNR1A (0.58) CDYLMTNR1ATDP1KDM4EGPR84
SCHEMBL6282199 0.83 MTNR1A (0.50) IAPPCDYLMTNR1ATDP1KDM4E
SCHEMBL27891939 0.83 TDP1 (0.51) CDYLMTNR1ATDP1KDM4EGPR84
SCHEMBL4070603 0.82 TDP1 (0.65) TDP1KDM4EACP3CYP1A2CYP2C19
SCHEMBL29875700 0.82 TDP1 (0.65) TDP1KDM4EACP3CYP1A2CYP2C19
SCHEMBL4070601 0.82 IAPP (0.56) IAPPCDYLMTNR1ATDP1KDM4E
SCHEMBL30258002 0.82 IAPP (0.56) IAPPCDYLMTNR1ATDP1KDM4E
SCHEMBL14608998 0.82 MTNR1A (0.49) IAPPCDYLMTNR1ATDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2008-11-20 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-20080286233-A1 PIPERIZINYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, HPN, PREP IAPP 1306/4885CDYL 4651/4885MTNR1A 4048/4885

“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.