SCHEMBL29958009

SCHEMBL29958009

CC(C)[Si](C(C)C)(C(C)C)n1ccc2ccc(F)cc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.50
HTR2A P28223 4/20 0.50
CDC7 O00311 1/20 0.40
CDK2 P24941 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR7 P34969 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPT P10636 3/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
P2RX7 Q99572 1/20 0.33
FABP4 P15090 1/20 0.32
CYP19A1 P11511 1/20 0.32
NPY5R Q15761 1/20 0.32

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
SCHEMBL12544395 1.00 HTR2C (0.50) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL29174324 0.87 HTR2C (0.44) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL29174304 0.86 AHR (0.54) HTR2CHTR2ACDC7CDK2ROCK1
SCHEMBL850727 0.86 HTR2C (0.50) HTR2CHTR2ASLC6A2SLC6A4MAPT
SCHEMBL16937932 0.81 HTR2A (0.49) HTR2CHTR2AROCK1HTR7MAPT
SCHEMBL22717788 0.81 HTR2C (0.49) HTR2CHTR2AP2RX7NPY5R
SCHEMBL1956343 0.79 HTR2C (0.41) HTR2CHTR2ACDC7CDK2HTR7
SCHEMBL917628 0.79 PRKCI (0.41) HTR2CHTR2ASLC6A2SLC6A4MAPT
SCHEMBL516662 0.79 HTR7 (0.40) HTR2CHTR2ACDC7CDK2HTR7
SCHEMBL916893 0.77 HTR6 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382482-A1 PLASMA KALLIKREIN INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2024-11-21 US disclosed
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 EP disclosed
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 CN disclosed
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023060362-A1 RAS INHIBITORS, COMPOSITIONS AND METHODS OF USE THEREOF GENETOLEAD INC. (CA) 2023-04-20 WO disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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 (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-20240382482-A1 PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 HTR2C 4341/4885HTR2A 4146/4885CDC7 1051/4885

“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.