SCHEMBL11040715

SCHEMBL11040715

CC1CCCC(C(C)C)N1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL2757138 0.84
SCHEMBL23773240 0.84 CYP2C9 (0.38) CYP2C9TSHRCYP2C19TDP1
SCHEMBL21115556 0.84 CYP2C9 (0.38) CYP2C9TSHRCYP2C19TDP1
SCHEMBL356705 0.84 CYP2C9 (0.38) CYP2C9TSHRCYP2C19TDP1
SCHEMBL21882657 0.81 CYP2C9 (0.52) CYP2C9TSHRCYP2C19TDP1
SCHEMBL22080094 0.78 DPP4 (0.33) CYP2C9TSHRCYP2C19TDP1
SCHEMBL19578736 0.78 CYP2C9 (0.48) CYP2C9TSHRCYP2C19TDP1
Nanofin SCHEMBL83612 0.74
Nanofin SCHEMBL24269496 0.74
Nanofin SCHEMBL25816 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO claimed
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-11-02 US disclosed
WO-2023116934-A1 KRASG12D PROTEIN HYDROLYSIS REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州泽璟生物制药股份有限公司 2023-06-29 WO disclosed
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-06-15 US disclosed
WO-2023011533-A1 COMPOSITIONS AND METHODS OF COMBINATION THERAPY FOR TARGETING LYMPHOMA CULLGEN (SHANGHAI) , INC. (CN) 2023-02-09 WO disclosed
WO-2022068933-A1 COMPOUNDS AND METHODS OF TREATING DISEASES CULLGEN (SHANGHAI) , INC. (CN) 2022-04-07 WO disclosed
US-20210199672-A1 BIOMARKERS AND METHODS FOR EVALUATION AND TREATMENT OF EPILEPTIC VS NON-EPILEPTIC SEIZURES / NO SEIZURES / PSYCHOGENIC NON-EPILEPTIC SEIZURES EVOGEN, INC. (US) 2021-07-01 US disclosed
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-13 US disclosed
US-10947237-B2 Antimicrobial compounds and methods of making and using the same BioVersys AG (CH) 2021-03-16 US disclosed
WO-2019164880-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME DUFFY ERIN M (US) 2019-08-29 WO disclosed
US-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-04-25 US disclosed
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 US disclosed
WO-2017193017-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. (US) 2017-11-09 WO disclosed
WO-2017193016-A1 ANTIMICROBIALS AND METHODS OF MAKING AND USING SAME MELINTA THERAPEUTICS, INC. (US) 2017-11-09 WO disclosed
WO-2013177292-A1 TITANIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177284-A1 HAFNIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
WO-2013177269-A2 ZIRCONIUM-CONTAINING PRECURSORS FOR VAPOR DEPOSITION L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2013-11-28 WO disclosed
EP-0015763-B1 ZIEGLER TYPE CATALYST SYSTEM EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-05-16 EP 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 (6 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-20190119301-A1 THIAZOLYL-CONTAINING COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES BTK, BCL9L, BCL9 CYP2C9 4176/4885TSHR 2001/4885CYP2C19 4339/4885
US-20180110778-A1 4,6-PYRIMIDINYLENE DERIVATIVES AND USES THEREOF CDKL4, CDKL5, PIP5K1A CYP2C9 1285/4885TSHR 3495/4885CYP2C19 1455/4885
US-10975055-B2 Inhibitors of interleukin-1 receptor-associated kinases and uses thereof IRAK1, IRAK4, IRAK2 CYP2C9 1261/4885TSHR 2248/4885CYP2C19 1481/4885
US-20230183240-A9 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK3, CDK13, CDK1 CYP2C9 805/4885TSHR 3325/4885CYP2C19 927/4885
US-10947237-B2 Antimicrobial compounds and methods of making and using the same LPO, MPO, CAT CYP2C9 1956/4885TSHR 4406/4885CYP2C19 1662/4885
US-20230346942-A1 MACROMOLECULAR PRODRUGS FOR LIGHT-EMITTING DIODES AND USES THEREOF CRY1, MAPT, PYGL CYP2C9 11/4885TSHR 4119/4885CYP2C19 27/4885

“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.