SCHEMBL973001

SCHEMBL973001

CCC(CC)(C1CCNCC1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
CYP2D6 P10635 1/20 0.31
HRH1 P35367 1/20 0.31
SCN1A P35498 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
GGPS1 O95749 2/20 0.31
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL21925054 0.86 FDPS (0.34) FDPSLMNAGGPS1
SCHEMBL7449443 0.77
SCHEMBL7453429 0.74 ANPEP (0.35) ANPEPERAP2LMNAGABRA1TSHR
SCHEMBL9602655 0.73 MEN1 (0.36) MEN1KMT2A
SCHEMBL9602667 0.73 MEN1 (0.36) MEN1KMT2A
SCHEMBL9806690 0.71 LMNA (0.38) FDPSANPEPERAP2ARG1ARG2
SCHEMBL7441473 0.69 ARG1 (0.41) ARG1ARG2MEN1LMNACYP2D6
SCHEMBL1243993 0.69 FDPS (0.46) FDPS
SCHEMBL6945067 0.69 LMNA (0.39) ARG1ARG2MEN1LMNACYP2D6
SCHEMBL20395056 0.68 METAP1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
WO-2001087888-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SK CHEMICALS CO., LTD. (KR) 2001-11-22 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 (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-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A FDPS 288/4885ANPEP 522/4885ERAP2 1026/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A FDPS 288/4885ANPEP 522/4885ERAP2 1026/4885

“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.