SCHEMBL17129574

SCHEMBL17129574

CC1(C)OB(c2ccc(OCc3cccc(C#N)c3)cc2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.52
MAOB P27338 5/20 0.51
FFAR1 O14842 2/20 0.50
FFAR4 Q5NUL3 1/20 0.50
TDP2 O95551 2/20 0.49
MAOA P21397 2/20 0.48
GRM5 P41594 2/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
ESR2 Q92731 1/20 0.42

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
SCHEMBL30571359 0.84 DGAT1 (0.53) DGAT1MAOBTDP2MAOAESR2
SCHEMBL19000514 0.83 DGAT1 (0.55) DGAT1MRGPRX4
SCHEMBL257883 0.83 DGAT1 (0.55) DGAT1MAOBFFAR1MAOAGRM5
SCHEMBL17129418 0.82 MAOB (0.58) DGAT1MAOBFFAR1
SCHEMBL4659420 0.82 MAOB (0.56) DGAT1MAOBFFAR1MAOA
SCHEMBL298401 0.81 DGAT1 (0.72) DGAT1MAOBMAOA
SCHEMBL5802234 0.81 PDE4A (0.49) DGAT1TDP2ESR2
SCHEMBL17129333 0.80 DGAT1 (0.52) DGAT1MAOBTDP2MRGPRX4ESR2
SCHEMBL17129631 0.80 MRGPRX4 (0.45) DGAT1MAOBTDP2MAOAMRGPRX4
SCHEMBL22467542 0.79 DGAT1 (0.54) DGAT1MAOBTDP2MAOA

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-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 US disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 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-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 DGAT1 2213/4885MAOB 1222/4885FFAR1 1854/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 DGAT1 2213/4885MAOB 1222/4885FFAR1 1854/4885

“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.