SCHEMBL20714043

SCHEMBL20714043

O=C1COc2c(OC[C@]3(O)CCN(c4ccc(Cl)cc4F)C[C@H]3O)ccc(Cl)c2N1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.34
MGLL Q99685 4/20 0.32
DRD2 P14416 5/20 0.32
DRD3 P35462 5/20 0.32
DRD4 P21917 3/20 0.32
CCR1 P32246 1/20 0.32
KCNH2 Q12809 1/20 0.32
GRM5 P41594 1/20 0.31
TP53 P04637 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
ADRB1 P08588 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 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
SCHEMBL20612927 0.92 MGLL (0.31) MGLLDRD2DRD3DRD4TP53
SCHEMBL20597104 0.90 MGLL (0.33) TRPV4MGLLDRD2DRD3ADRB1
SCHEMBL20597220 0.87 TRPV4 (0.36) TRPV4MGLLGRM5PDE3BPDE3A
SCHEMBL30116139 0.87 TRPV4 (0.36) TRPV4MGLLGRM5PDE3BPDE3A
SCHEMBL20613105 0.87 TRPV4 (0.37) TRPV4
SCHEMBL20613098 0.86 TRPV4 (0.32) TRPV4GRM5
SCHEMBL17543782 0.86 TRPV4 (0.37) TRPV4DRD2GRM5
SCHEMBL17543265 0.86 TRPV4 (0.37) TRPV4DRD2GRM5
SCHEMBL17542989 0.82 TRPV4 (0.36) TRPV4DRD2CCR1KCNH2GRM5
SCHEMBL17543264 0.82 TRPV4 (0.36) TRPV4DRD2CCR1KCNH2GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851079-B2 Piperidine derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-12-01 US disclosed
US-20190040039-A1 PIPERIDINE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-07 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 (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-10851079-B2 Piperidine derivative EP300, SLC11A2, TBC1D5 TRPV4 814/4885MGLL 4222/4885DRD2 114/4885
US-20190040039-A1 PIPERIDINE DERIVATIVE EP300, SLC11A2, TBC1D5 TRPV4 814/4885MGLL 4222/4885DRD2 114/4885

“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.