SCHEMBL105393

SCHEMBL105393

CC(C)CCC(=O)N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
LMNA P02545 2/20 0.53
GLA P06280 1/20 0.53
POLB P06746 1/20 0.53
FKBP1A P62942 3/20 0.53
ALDH1A1 P00352 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL12580731 0.89 GLA (0.58) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL8485553 0.87 LMNA (0.51) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL8485558 0.87 LMNA (0.51) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL8972806 0.86 GLA (0.55) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL5653522 0.86 GLA (0.55) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL21852158 0.85 ALDH1A1 (0.54) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL12947921 0.84 TSHR (0.53) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL24590426 0.82 FKBP1A (0.48) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL23771200 0.82 FKBP1A (0.48) TSHRLMNAGLAPOLBFKBP1A
SCHEMBL4044701 0.82 FKBP1A (0.48) TSHRLMNAGLAPOLBFKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
EP-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 EP disclosed
WO-2023114428-A1 HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF DISEASE Vir Biotechnology, Inc. (US) 2023-06-22 WO disclosed
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid SHIONOGI & CO., LTD. (JP) 2023-05-02 US disclosed
EP-3870575-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-03-29 EP disclosed
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-26 US disclosed
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIGEL PHARMACEUTICALS INC. (US) 2022-06-28 US disclosed
US-20210393633-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-23 US disclosed
WO-2021046437-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO disclosed
US-20210002236-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-01-07 US disclosed
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-06-30 US disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2010-09-23 US disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-01 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 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 (12 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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL TSHR 3766/4885LMNA 393/4885GLA 101/4885
US-11638717-B2 Complex of nucleic acid medicine and multibranched lipid FABP1, POLRMT, SREBF1 TSHR 3187/4885LMNA 378/4885GLA 4258/4885
US-20230026466-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 TSHR 4798/4885LMNA 3551/4885GLA 4827/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C TSHR 847/4885LMNA 4568/4885GLA 3833/4885
US-20210393633-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H TSHR 4832/4885LMNA 3667/4885GLA 2574/4885
US-20210002236-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIPK1, RIPK2, RIPK3 TSHR 3807/4885LMNA 1539/4885GLA 3151/4885
US-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 TSHR 1003/4885LMNA 48/4885GLA 1321/4885
US-20090005375-A1 ACETYL COENZYME A CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 TSHR 4523/4885LMNA 2354/4885GLA 954/4885
US-20100240653-A1 BIPHENYL SULFONYL AND PHENYL-HETEROARYL SULFONYL MODULATORS OF THE HISTAMINE H3-RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO HRH3, HRH4, HRH1 TSHR 396/4885LMNA 4598/4885GLA 3045/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A TSHR 3904/4885LMNA 2179/4885GLA 2759/4885
US-20110159019-A1 2,4-DIAMINOPYRIMIDINE COMPOUND PRKCZ, DCLK1, AAK1 TSHR 4809/4885LMNA 4431/4885GLA 4073/4885
US-11370764-B2 RIP1 inhibitory compounds and methods for making and using the same RIPK1, RIPK2, RIPK3 TSHR 3807/4885LMNA 1539/4885GLA 3151/4885

“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.