SCHEMBL21776336

SCHEMBL21776336

COc1cccc(CCNC(=O)CC(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
CHRM3 P20309 1/20 0.56
CNR1 P21554 1/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RAB9A P51151 1/20 0.55
POLB P06746 1/20 0.55
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54

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
SCHEMBL11654998 0.85 CA1 (0.77) MTNR1AMTNR1BCA1CA2CHRM2
SCHEMBL330142 0.85 ALDH1A1 (0.76) MTNR1AMTNR1BCA1CA2CHRM2
SCHEMBL12964151 0.85 MTNR1A (0.84) MTNR1AMTNR1BCA1CA2
Hydrochloric Acid SCHEMBL11659562 0.83 CA1 (0.76) MTNR1AMTNR1BCA1CA2CHRM2
SCHEMBL21740800 0.83 SMN1; SMN2 (0.65) ALDH1A1SMN1; SMN2POLB
SCHEMBL23026415 0.83 HDAC1 (0.61) MTNR1AMTNR1B
SCHEMBL17143946 0.83 ALDH1A1 (0.74) MTNR1AMTNR1BCA1CA2CHRM2
SCHEMBL4028224 0.82 CA1 (0.70) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL29722609 0.82 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL24528927 0.82 MTNR1A (0.67) MTNR1AMTNR1B

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-11560390-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2023-01-24 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MTNR1A 4052/4885MTNR1B 4028/4885CA1 4870/4885
US-11560390-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 MTNR1A 1704/4885MTNR1B 1599/4885CA1 4238/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS MTNR1A 4052/4885MTNR1B 4028/4885CA1 4870/4885

“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.