SCHEMBL3972627

SCHEMBL3972627

CC1=CC(=O)CN(c2ccc3ccccc3c2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.49
SIGMAR1 Q99720 2/20 0.45
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR5A P47898 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
HSP90AA1 P07900 1/20 0.44
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.40
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3967446 0.80 MAPT (0.48) HTR3ASIGMAR1HTR3EHTR3BHTR3D
SCHEMBL3968908 0.76 F2 (0.42) RAB9AGAAAKR1C3LMNANPC1
SCHEMBL4283993 0.74 POLB (0.46) HTR3ASIGMAR1HTR3EHTR3BHTR3D
SCHEMBL3969849 0.69 CHRNB2 (0.43) ALDH1A1GAACYP3A4
SCHEMBL3534699 0.66 HTR3A (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL29594813 0.66 HTR3A (0.69) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL6002185 0.66 HTR3A (1.00) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL28043610 0.66 HTR3A (0.57) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL30101946 0.66 HTR3A (0.57) HTR3ASIGMAR1HTR3EHTR3BHTR5A
SCHEMBL3970586 0.66 ADRA1A (0.35) RAB9AALDH1A1GAACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866656-B1 USE OF N-SUBSTITUTED PYRIDONES AS TUMOR NECROSIS FACTOR ALPHA INHIBITORS MARGOLIN SOLOMON B (US) 2007-04-25 EP claimed
EP-0813409-B1 TREATMENT OF CYTOKINE GROWTH FACTOR CAUSED DISORDERS MARGOLIN SOLOMON B (US) 2004-05-06 EP claimed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 US claimed
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2024-07-02 US disclosed
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2023-05-18 US disclosed
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2023-01-24 US disclosed
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. 2022-07-14 US disclosed
US-11224592-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof AVALYN PHARMA INC. (US) 2022-01-18 US disclosed
US-11071741-B2 Aerosol pirfenidone and pyridone analog compound and uses thereof AVALYN PHARMA INC. (US) 2021-07-27 US disclosed
US-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2021-03-11 US disclosed
US-20200405704-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF AVALYN PHARMA INC. (US) 2020-12-31 US disclosed
WO-2012106382-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF GENOA PHARMACEUTICALS, INC. (US) 2012-08-02 US disclosed
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-11-19 US disclosed
US-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-30 US disclosed
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION HOFFMANN-LA ROCHE INC. 2009-04-23 US disclosed
US-7491794-B2 Macrocyclic compounds as inhibitors of viral replication INTERMUNE, INC. (US) 2009-02-17 US disclosed
US-20060198823-A1 Compositions and methods for treating viral infections INTERMUNE, INC. 2006-09-07 US disclosed
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication HOFFMANN-LA ROCHE INC. 2005-12-01 US disclosed
US-5962478-A ADMINISTERING A N-SUBSTITUTED 2(1H)PYRIDONE INTERMUNE, INC. 1999-10-05 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 (14 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-20090111982-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR3A 4543/4885SIGMAR1 3309/4885HTR3E 3978/4885
US-20230149375-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-11224592-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20090286843-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR3A 4543/4885SIGMAR1 3309/4885HTR3E 3978/4885
US-20210069165-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20060198823-A1 Compositions and methods for treating viral infections IFNAR1, IFNG, TLR3 HTR3A 166/4885SIGMAR1 28/4885HTR3E 338/4885
US-20220218683-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20200405704-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-11559520-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20120192861-A1 AEROSOL PIRFENIDONE AND PYRIDONE ANALOG COMPOUNDS AND USES THEREOF PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20050267018-A1 Macrocyclic compounds as inhibitors of viral replication EIF2AK2, HAVCR2, ZC3HAV1 HTR3A 4543/4885SIGMAR1 3309/4885HTR3E 3978/4885
US-12023342-B2 Aerosol pirfenidone and pyridone analog compounds and uses thereof PLPBP, PIR, PDXK HTR3A 653/4885SIGMAR1 1581/4885HTR3E 1672/4885
US-20090105471-A1 MACROCYCLIC COMPOUNDS AS INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 HTR3A 4543/4885SIGMAR1 3309/4885HTR3E 3978/4885
US-11071741-B2 Aerosol pirfenidone and pyridone analog compound and uses thereof PLPBP, PIR, PDXK HTR3A 658/4885SIGMAR1 1650/4885HTR3E 1638/4885

“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.