SCHEMBL10176079

SCHEMBL10176079

CC(C)(C)C1(C(C)(C)C)CNC(=O)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL14592866 0.76 SMN1; SMN2 (0.50) SMN1; SMN2OPRM1OPRL1KDM4ELMNA
SCHEMBL13096629 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL14437847 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL10226990 0.72 SMN1; SMN2 (0.41) SMN1; SMN2KDM4ELMNACYP2C19
SCHEMBL248285 0.69
SCHEMBL8552663 0.68 SMN1; SMN2 (0.52) SMN1; SMN2OPRM1OPRL1KDM4ELMNA
SCHEMBL14213200 0.67
SCHEMBL4289914 0.67 SMN1; SMN2 (0.50) SMN1; SMN2OPRM1OPRL1
SCHEMBL21042654 0.67 SMN1; SMN2 (0.56) SMN1; SMN2OPRM1OPRL1KDM4ELMNA
SCHEMBL24004291 0.66 SMN1; SMN2 (0.39) SMN1; SMN2OPRM1OPRL1

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207353-A1 USE OF PEPTIDE AMIDE COMPOUND IN PREPARATION OF DRUG FOR TREATING PRURITUS XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11773090-B2 Pharmaceutical compounds HEPTARES THERAPEUTICS LIMITED (GB) 2023-10-03 US disclosed
US-11236111-B2 Hepatitis B antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-02-01 US disclosed
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS NXERA PHARMA UK LIMITED (GB) 2021-01-07 US disclosed
US-20200377519-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-12-03 US disclosed
WO-2019243850-A1 OXADIAZOLES AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO disclosed
US-8222269-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-07-17 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8101603-B2 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-01-24 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7262187-B2 Substituted oxazolo- and thizaolopyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070149536-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070142388-A1 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. 2007-06-21 US disclosed
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BRADY STEPHEN F 2007-06-07 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-20070082906-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-04-12 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070043001-A1 Inhibitors of akt activity MERCK SHARP & DOHME CORP. 2007-02-22 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 (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-20070149536-A1 Inhibitors of Akt activity AKT1, AKT2, AKT3 SMN1; SMN2 3892/4885OPRM1 4231/4885OPRL1 4118/4885
US-11236111-B2 Hepatitis B antiviral agents HAVCR2, SLC10A1, HDGF SMN1; SMN2 4688/4885OPRM1 3875/4885OPRL1 4229/4885
US-11773090-B2 Pharmaceutical compounds CHRM1, CHRM2, CHRM4 SMN1; SMN2 2514/4885OPRM1 39/4885OPRL1 74/4885
US-20070043001-A1 Inhibitors of akt activity MTMR1, PIK3CA, PLK1 SMN1; SMN2 3055/4885OPRM1 3757/4885OPRL1 4276/4885
US-20070129309-A1 Conjugates useful in the treatment of prostate cancer BPHL, KLK3, DNPEP SMN1; SMN2 3213/4885OPRM1 1966/4885OPRL1 529/4885
US-20200377519-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, SLC10A1, HDGF SMN1; SMN2 4688/4885OPRM1 3875/4885OPRL1 4229/4885
US-20070082906-A1 Inhibitors of akt activity AKT2, AKT1, AKT3 SMN1; SMN2 3880/4885OPRM1 4411/4885OPRL1 3986/4885
US-20210002271-A1 PHARMACEUTICAL COMPOUNDS CHRM1, CHRM2, CHRM4 SMN1; SMN2 2514/4885OPRM1 39/4885OPRL1 74/4885
US-20240207353-A1 USE OF PEPTIDE AMIDE COMPOUND IN PREPARATION OF DRUG FOR TREATING PRURITUS VIP, GRPR, ITCH SMN1; SMN2 3400/4885OPRM1 206/4885OPRL1 73/4885
US-20070142388-A1 Inhibitors of Akt activity AKT2, AKT1, AKT3 SMN1; SMN2 3497/4885OPRM1 4440/4885OPRL1 4106/4885

“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.