SCHEMBL2608930

SCHEMBL2608930

Cc1cnn(CC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
PLAA Q9Y263 1/20 0.38
HTR5A P47898 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
PDK2 Q15119 1/20 0.36
NOS1 P29475 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.34
OPRK1 P41145 1/20 0.33
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL16478707 0.83 NOS1 (0.41) ACHEALPIALPGPLAAHTR5A
SCHEMBL19121261 0.83 ACHE (0.37) ACHEALPIALPGPLAAHTR5A
SCHEMBL26773334 0.83 ACHE (0.44) ACHEALPIALPGPLAAHTR5A
SCHEMBL12179239 0.83 NOS1 (0.41) ACHEALPIALPGPLAAHTR5A
SCHEMBL12284188 0.83 HTR2A (0.37) ACHEALPIALPGPLAAHTR5A
SCHEMBL23182696 0.83 ACHE (0.37) ACHEALPIALPGPLAAHTR5A
SCHEMBL16478706 0.83 NOS1 (0.41) ACHEALPIALPGPLAAHTR5A
SCHEMBL26773711 0.83 ACHE (0.37) ACHEALPIALPGPLAAHTR5A
SCHEMBL19121796 0.83 ACHE (0.37) ACHEALPIALPGPLAAHTR5A
SCHEMBL13665521 0.82 LMNA (0.36) ACHEALPIALPGPLAAHTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3958867-B1 SMALL MOLECULE BROMODOMAIN INHIBITORS AND USES THEREOF CONVERGENE LLC (US) 2024-06-26 EP disclosed
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF JAZZ PHARMACEUTICALS RESEARCH UK LIMITED (GB) 2024-01-25 US disclosed
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
EP-3436446-B1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2023-06-07 EP disclosed
WO-2022263548-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS LEAD DISCOVERY CENTER GMBH (DE) 2022-12-22 WO disclosed
EP-4104901-A1 3-SUBSTITUTED 1H-PYRROLO[2,3-B]PYRIDINE AS GRK5 MODULATORS Lead Discovery Center GmbH (DE) 2022-12-21 EP disclosed
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS MISSION THERAPEUTICS LIMITED (GB) 2022-06-09 US disclosed
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors MISSION THERAPEUTICS LIMITED (GB) 2022-06-07 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 US disclosed
WO-2009102588-A1 FUSED PYRIDONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 US disclosed
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-0366329-B1 Halogeno-4-methylpyrazoles and process for preparing the same NISSAN CHEMICAL IND LTD (JP) 1996-03-20 EP disclosed
US-5220028-A Halogeno-4-methylpyrazoles NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-15 US disclosed
EP-0366328-B1 PROCESS FOR PREPARING 4-METHYLPYRAZOLES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1993-05-19 EP disclosed
EP-0366328-A1 Process for preparing 4-methylpyrazoles NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1990-05-02 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 (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-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL ACHE 1515/4885ALPI 603/4885ALPG 653/4885
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 ACHE 4563/4885ALPI 814/4885ALPG 2680/4885
US-11352339-B2 1-cyano-pyrrolidine derivatives as DUB inhibitors USP30, USP28, USP1 ACHE 1936/4885ALPI 3327/4885ALPG 4681/4885
US-20070105904-A1 3-(3-(4-(pyridin-2-yloxymethyl)-benzyl)-isoxazol-5-yl)-pyridin-2-ylamine; inhibiting fungal GPI biosynthesis thereby inhibiting expression of cell wall proteins and blocking cell wall assembly while preventing the fungus from attaching to cells GPI, ERG28, MAN2A1 ACHE 4780/4885ALPI 3970/4885ALPG 2946/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 ACHE 4738/4885ALPI 2219/4885ALPG 4569/4885
US-20220177451-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS USP30, USP28, USP1 ACHE 1936/4885ALPI 3327/4885ALPG 4681/4885
US-20240025858-A1 CANNABINOID DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHOD OF PREPARATION THEREOF CNR1, CNR2, FAAH ACHE 73/4885ALPI 1988/4885ALPG 3308/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E ACHE 4339/4885ALPI 673/4885ALPG 2395/4885

“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.