SCHEMBL19001361

SCHEMBL19001361

Cc1cc(C2CCCN2C)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.58
▸ CHRNB4 P30926 1/20 0.58
▸ CHRNA3 P32297 1/20 0.58
▸ CHRNA7 P36544 1/20 0.58
▸ CHRNA4 P43681 1/20 0.58
▸ CHRM2 P08172 3/20 0.53
▸ CHRM4 P08173 3/20 0.53
▸ CHRM5 P08912 3/20 0.53
▸ CHRM1 P11229 3/20 0.53
▸ CHRM3 P20309 3/20 0.53
▸ EPHX2 P34913 1/20 0.46

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
SCHEMBL18997799 0.80 EPHX2 (0.44) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19049573 0.80 EPHX2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17069026 0.77 EPHX2 (0.58) EPHX2
SCHEMBL2600270 0.74 DRD2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL8114587 0.73 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL2911067 0.73 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL194161 0.73 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17069024 0.72 EPHX2 (0.53) EPHX2
Abt-418 SCHEMBL8106821 0.72 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL7130413 0.72 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 — — US disclosed
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 — — US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 — — US disclosed
EP-3394056-B1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC (US) 2021-04-14 — — EP 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
EP-3416957-B1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDIN-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2020-07-01 — — EP 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
WO-2017140843-A1 6-HETEROCYCLYL-4-MORPHOLIN-4-YLPYRIDINE-2-ONE COMPOUNDS USEFUL FOR THE TREATMENT OF CANCER AND DIABETES SPRINT BIOSCIENCE AB (SE) 2017-08-24 — — WO disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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 (7 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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CHRNB2 4681/4885CHRNB4 4670/4885CHRNA3 4779/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 CHRNB2 4681/4885CHRNB4 4670/4885CHRNA3 4779/4885
US-20200054614-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CHRNB2 4707/4885CHRNB4 4659/4885CHRNA3 4799/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CHRNB2 4707/4885CHRNB4 4659/4885CHRNA3 4799/4885
US-10933054-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CHRNB2 4707/4885CHRNB4 4659/4885CHRNA3 4799/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS CHRNB2 4707/4885CHRNB4 4659/4885CHRNA3 4799/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 CHRNB2 4681/4885CHRNB4 4670/4885CHRNA3 4779/4885

“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.

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