SCHEMBL21169218

SCHEMBL21169218

CC(=O)N1CCN(C(C)(C)CCC(C)(C)N2CCC(=O)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PIK3CD O00329 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
CASP6 P55212 1/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL19226546 0.81 CYP1A2 (0.42) CYP1A2TDP1HSP90AA1HSP90AB1PIK3CD
SCHEMBL19223939 0.79 CYP1A2 (0.43) CYP1A2TDP1HSP90AA1HSP90AB1PIK3CD
SCHEMBL24027743 0.77 CYP1A2 (0.42) CYP1A2TDP1HSP90AA1HSP90AB1PIK3CD
SCHEMBL21452648 0.76 CYP11B1 (0.34) CYP1A2TDP1HSP90AA1HSP90AB1GFER
SCHEMBL137219 0.75 CYP1A2 (0.50) CYP1A2TDP1PIK3CDHRH3SMN1; SMN2
SCHEMBL19464819 0.74
SCHEMBL19223898 0.74 CYP1A2 (0.46) CYP1A2TDP1HSP90AA1HSP90AB1PIK3CD
SCHEMBL4550248 0.74 CYP1A2 (0.46) CYP1A2TDP1HSP90AA1HSP90AB1PIK3CD
SCHEMBL21677416 0.73 TDP1 (0.38) CYP1A2TDP1PIK3CDKMT2AMEN1
SCHEMBL21677328 0.73 TDP1 (0.38) CYP1A2TDP1PIK3CDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 US disclosed
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2023-01-03 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-02 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-20 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (10 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CYP1A2 3616/4885TDP1 2367/4885HSP90AA1 595/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CYP1A2 4411/4885TDP1 3252/4885HSP90AA1 535/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CYP1A2 4411/4885TDP1 3252/4885HSP90AA1 535/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CYP1A2 4411/4885TDP1 3252/4885HSP90AA1 535/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885
US-11541041-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, Rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CYP1A2 4764/4885TDP1 3901/4885HSP90AA1 378/4885

“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.