SCHEMBL826949

SCHEMBL826949

CC(C)Cc1cnc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.55
CYP1A2 P05177 2/20 0.52
MMP9 P14780 2/20 0.50
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
PDGFRB P09619 2/20 0.46
PDGFRA P16234 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ACACB O00763 1/20 0.43
TLR8 Q9NR97 1/20 0.43
MMP1 P03956 1/20 0.43
FCER2 P06734 1/20 0.43
MMP3 P08254 1/20 0.43
MGAM O43451 1/20 0.42

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
SCHEMBL22401385 0.86 HTR2A (0.57) PDE10ACYP1A2MMP9MMP2MMP8
SCHEMBL23009533 0.86 HTR2A (0.57) PDE10ACYP1A2MMP9MMP2MMP8
SCHEMBL19513277 0.84 GABRA1 (0.42) PDE10AMMP9MMP2MMP8PDGFRB
SCHEMBL28270504 0.83 CYP1A2 (0.46) PDE10ACYP1A2MMP9MMP2MMP8
SCHEMBL29297673 0.82 ABL1 (0.44) PDE10AMMP9MMP2MMP8PDGFRB
SCHEMBL17785646 0.82 CYP1A2 (0.47) PDE10ACYP1A2PDGFRBPDGFRAMEN1
SCHEMBL16740154 0.81 MGAM (0.50) PDE10ACYP1A2MMP9MMP2MMP8
SCHEMBL20224978 0.80 CYP1A2 (0.46) PDE10ACYP1A2PDGFRBPDGFRAMEN1
SCHEMBL29018659 0.80 MEN1 (0.50) PDE10ACYP1A2MEN1KMT2ATLR8
SCHEMBL151560 0.79 CYP1A2 (0.57) PDE10ACYP1A2PDGFRBPDGFRAKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XWPharma Ltd. (KY) 2023-09-28 US disclosed
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XWPharma Ltd. (KY) 2023-09-26 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 US disclosed
US-11192891-B2 Diazaspiro ROCK inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-12-07 US disclosed
US-11066447-B2 Aureobasidium derivatives and methods of synthesis AueroGen Biosciences, Inc. (US) 2021-07-20 US disclosed
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-27 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 US disclosed
US-6984637-B2 Cyclic amine derivatives-CCR-3 receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-01-10 US disclosed
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst MITSUBISHI RAYON CO., LTD. (JP) 2005-07-07 US disclosed
EP-1481978-A1 PROCESS FOR PRODUCTION OF HETEROARYL-TYPE BORON COMPOUNDS WITH IRIDIUM CATALYST Mitsubishi Rayon Co., Ltd. (JP) 2004-12-01 EP disclosed
US-6770650-B2 CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA SYNTEX (U.S.A.) LLC 2004-08-03 US disclosed
US-6683074-B1 PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES SYNTEX (U.S.A.) LLC 2004-01-27 US disclosed
US-6339087-B1 FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS SYNTEX (U.S.A.) LLC 2002-01-15 US disclosed
US-6323223-B1 CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. SYNTEX (U.S.A.) LLC 2001-11-27 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-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 PDE10A 1361/4885CYP1A2 2090/4885MMP9 1744/4885
US-20050148775-A1 Process for production of heteroaryl-type boron compounds with iridium catalyst PIN4, IPO5, HLCS PDE10A 4586/4885CYP1A2 885/4885MMP9 4863/4885
US-20230322744-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR PDE10A 215/4885CYP1A2 3604/4885MMP9 3339/4885
US-11066447-B2 Aureobasidium derivatives and methods of synthesis ERG28, FDPS, AAAS PDE10A 453/4885CYP1A2 1041/4885MMP9 3730/4885
US-11192891-B2 Diazaspiro ROCK inhibitors ROCK1, MYLK, ROCK2 PDE10A 747/4885CYP1A2 3893/4885MMP9 971/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 PDE10A 1188/4885CYP1A2 1377/4885MMP9 1161/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 PDE10A 1036/4885CYP1A2 59/4885MMP9 1655/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR PDE10A 144/4885CYP1A2 4109/4885MMP9 3127/4885
US-20210154188-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ALKBH3 PDE10A 3124/4885CYP1A2 2896/4885MMP9 2965/4885
US-11767313-B2 Compounds as nuclear transport modulators and uses thereof XPOT, XPO1, XPO5 PDE10A 3563/4885CYP1A2 3155/4885MMP9 2898/4885
US-20230303530-A1 COMPOUNDS AS NUCLEAR TRANSPORT MODULATORS AND USES THEREOF XPOT, XPO1, XPO5 PDE10A 3563/4885CYP1A2 3155/4885MMP9 2898/4885
US-20210188848-A1 DIAZASPIRO ROCK INHIBITORS ROCK1, MYLK, ROCK2 PDE10A 747/4885CYP1A2 3893/4885MMP9 971/4885

“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.