SCHEMBL9963113

SCHEMBL9963113

COC(=O)C1CN(C(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
TP53 P04637 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10232853 0.84 TP53 (0.47) BRD4TP53SMN1; SMN2HRH3ALDH1A1
SCHEMBL10017888 0.81 KDM2B (0.50) BRD4TP53SMN1; SMN2HRH3ALDH1A1
SCHEMBL10017896 0.81 KDM2B (0.50) BRD4TP53SMN1; SMN2HRH3ALDH1A1
SCHEMBL13676337 0.81 KDM2B (0.50) BRD4TP53SMN1; SMN2HRH3ALDH1A1
SCHEMBL4432834 0.79 TP53 (0.55) TP53SMN1; SMN2HRH3ALDH1A1
SCHEMBL2219064 0.79 BRD4 (0.39) BRD4TP53CHRNB2CHRNA4CHRNB4
SCHEMBL14003361 0.78 MAPT (0.47) SMN1; SMN2ALDH1A1CYP2C19
SCHEMBL22604573 0.78 HRH3 (0.58) SMN1; SMN2HRH3ALDH1A1
SCHEMBL25482582 0.77 HRH3 (0.41) CHRNB2CHRNA4CHRNA3SMN1; SMN2HRH3
SCHEMBL20682325 0.76 CYP2C19 (0.39) TP53ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
US-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
WO-2023072246-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2023-05-04 WO disclosed
US-20230112485-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-04-13 US disclosed
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-7544677-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2009-06-09 US disclosed
US-20070254901-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2007-11-01 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 (8 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 BRD4 880/4885TP53 190/4885CHRNB2 4564/4885
US-20230192688-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS AND USES THEREOF EGLN3, EGLN2, EGLN1 BRD4 161/4885TP53 3756/4885CHRNB2 4843/4885
US-20230112485-A1 THERAPEUTIC COMPOUNDS BRDT, BRPF3, SNRPE BRD4 34/4885TP53 178/4885CHRNB2 1470/4885
US-11731987-B2 Prolyl hydroxylase domain-containing protein (PHD) inhibitors and uses thereof EGLN3, EGLN2, EGLN1 BRD4 161/4885TP53 3756/4885CHRNB2 4843/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA BRD4 3618/4885TP53 3942/4885CHRNB2 2525/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 BRD4 726/4885TP53 4766/4885CHRNB2 43/4885
US-20070254901-A1 Inhibitors of Akt Activity AKT1, AKT2, PIK3CD BRD4 1475/4885TP53 109/4885CHRNB2 4724/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 BRD4 3838/4885TP53 2036/4885CHRNB2 3713/4885

“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.