SCHEMBL5962484

SCHEMBL5962484

CC(C)(C)Cc1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
CYSLTR2 Q9NS75 1/20 0.49
PDE10A Q9Y233 1/20 0.45
NCF1 P14598 3/20 0.44
NOS2 P35228 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL22166741 0.98 CYSLTR1 (0.51) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL7678631 0.85 CYP1A2 (0.46) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL13924681 0.85 CYP1A2 (0.50) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL11026820 0.82 CYSLTR1 (0.50) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL3107823 0.81 PDE10A (0.50) CYP1A2CYSLTR1CYSLTR2PDE10A
SCHEMBL6700272 0.80 CYP1A2 (0.43) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL22279709 0.80 CYSLTR1 (0.49) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL12722819 0.78 CYP1A2 (0.47) CYP1A2CYSLTR1CYSLTR2PDE10ANCF1
SCHEMBL13017127 0.78 PDE10A (0.48) CYP1A2CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL24634739 0.77 ESR1 (0.39) CYP1A2CYSLTR1CYSLTR2NOS2GPBAR1

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 99 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-11858945-B2 Alkyne-containing antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-01-02 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION C4 THERAPEUTICS, INC. (US) 2023-11-09 US disclosed
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-08-24 US disclosed
US-11691972-B2 Compounds for targeted degradation of BRD9 C4 THERAPEUTICS, INC. (US) 2023-07-04 US disclosed
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR C4 THERAPEUTICS, INC. (US) 2023-04-13 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-20080269245-A1 Dioxanes and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2008-10-30 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication JANSSEN SCIENCES IRELAND UC (IE) 2008-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080027096-A1 Novel Pharmaceutical Compositions KARO BIO AB (SE) 2008-01-31 US disclosed
US-7319163-B2 Thyroid receptor antagonists for the treatment of cardiac and metabolic disorders KARO BIO AB (SE) 2008-01-15 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 (15 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-20080146564-A1 1,3-Dihydro-Benzimidazol-2-Ylidene Amines as Inhibitors of Respiratory Syncytial Virus Replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CBR1, RTF2 CYP1A2 2185/4885CYSLTR1 1314/4885CYSLTR2 2063/4885
US-20080027096-A1 Novel Pharmaceutical Compositions AR, NR5A1, CYP17A1 CYP1A2 424/4885CYSLTR1 393/4885CYSLTR2 505/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L CYP1A2 533/4885CYSLTR1 2783/4885CYSLTR2 2903/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 CYP1A2 2090/4885CYSLTR1 1857/4885CYSLTR2 3053/4885
US-20230265107-A1 PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP11B2, WEE2, CYP11B1 CYP1A2 137/4885CYSLTR1 1597/4885CYSLTR2 1754/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYSLTR1 450/4885CYSLTR2 453/4885
US-20230110648-A1 ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR EGFR, ERBB2, ERBB3 CYP1A2 2538/4885CYSLTR1 3104/4885CYSLTR2 3398/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 CYP1A2 1377/4885CYSLTR1 1737/4885CYSLTR2 3050/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC CYP1A2 2752/4885CYSLTR1 913/4885CYSLTR2 1082/4885
US-20230357180-A1 DEGRADERS AND DEGRONS FOR TARGETED PROTEIN DEGRADATION STUB1, MDM2, USP30 CYP1A2 2991/4885CYSLTR1 4626/4885CYSLTR2 4632/4885
US-11858945-B2 Alkyne-containing antiviral agents ACE, SARS1, ACE2 CYP1A2 2959/4885CYSLTR1 1074/4885CYSLTR2 2295/4885
US-20080269245-A1 Dioxanes and uses thereof UTS2R, MAN2B2, AMDHD2 CYP1A2 723/4885CYSLTR1 4231/4885CYSLTR2 3302/4885
US-20230159545-A1 ALKYNE-CONTAINING ANTIVIRAL AGENTS ACE, SARS1, ACE2 CYP1A2 2959/4885CYSLTR1 1074/4885CYSLTR2 2295/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP1A2 540/4885CYSLTR1 450/4885CYSLTR2 453/4885
US-11691972-B2 Compounds for targeted degradation of BRD9 BRD9, BRD1, BRWD1 CYP1A2 4742/4885CYSLTR1 4725/4885CYSLTR2 4739/4885

“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.