SCHEMBL5110752

SCHEMBL5110752

NC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.80
NPSR1 Q6W5P4 6/20 0.80
KDM4E B2RXH2 5/20 0.80
HTR1A P08908 4/20 0.80
HTR2A P28223 4/20 0.80
HTR2B P41595 4/20 0.80
TSHR P16473 4/20 0.80
BLM P54132 4/20 0.80
LMNA P02545 4/20 0.80
ALDH1A1 P00352 4/20 0.80
MAPT P10636 4/20 0.80
KMT2A Q03164 4/20 0.80
NFKB1 P19838 3/20 0.80
PMP22 Q01453 3/20 0.80
CYP3A4 P08684 3/20 0.80
HTR7 P34969 2/20 0.80
ADORA3 P0DMS8 1/20 0.80
ALOX15 P16050 1/20 0.80
SLC6A4 P31645 1/20 0.80
MTOR P42345 1/20 0.80

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
SCHEMBL5066582 1.00 HTR2C (0.80) HTR2CNPSR1KDM4EHTR1AHTR2A
Water SCHEMBL27717537 0.99 HTR2C (0.78) HTR2CNPSR1KDM4EHTR1AHTR2A
Hydrochloric Acid SCHEMBL5062770 0.99 HTR2C (0.78) HTR2CNPSR1KDM4EHTR1AHTR2A
Water SCHEMBL3049600 0.99 HTR2C (0.78) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL10703675 0.95 NPSR1 (0.90) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL43242 0.89 NPSR1 (1.00) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL29498813 0.89 NPSR1 (1.00) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL21114383 0.89 NPSR1 (1.00) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL21114382 0.89 NPSR1 (1.00) HTR2CNPSR1KDM4EHTR1AHTR2A
Oxitriptan SCHEMBL19871232 0.89 NPSR1 (1.00) HTR2CNPSR1KDM4EHTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106281-B1 ANALGESIA-EFFECTING 5-HYDROXYTRYPTOPHAN DERIVATIVES YEDA RESEARCH AND DEVELOPMENT COMPANY, LTD. (IL) 1988-04-27 EP claimed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
US-7189724-B2 Quinoxaline derivatives having antiviral activity VALEANT RESEARCH AND DEVELOPMENT (US) 2007-03-13 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20050026923-A1 Quinoxaline derivatives having antiviral activity BAUSCH HEALTH POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA (F/K/A VALEANT PHARMA POLAND SPOLKA Z OGRANICZONA ODPOWIEDZIALNOSCIA) (PL) 2005-02-03 US disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 WO disclosed
US-4658038-A N-acylated 5-hydroxytryptophan amide derivatives RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. (US) 1987-04-14 US disclosed
US-4497957-A HYDROLYSIS OF DL-TRYPTOPHANE AMIDES BY AMIDASE PRODUCING MICROORGANISMS UBE INDUSTRIES, LTD. (JP) 1985-02-05 US disclosed
US-4481362-A ASYMMETRIC HYDROLYSIS OF AMIDE UBE INDUSTRIES, INC. (JP) 1984-11-06 US disclosed
EP-0043211-B1 PROCESS FOR PREPARING OPTICALLY ACTIVE TRYPTOPHANES UBE INDUSTRIES, LTD. (JP) 1984-05-09 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 (4 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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTR2C 2645/4885NPSR1 1532/4885KDM4E 2381/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 HTR2C 1797/4885NPSR1 959/4885KDM4E 3436/4885
US-20050026923-A1 Quinoxaline derivatives having antiviral activity IRF3, MAVS, EIF2AK2 HTR2C 3514/4885NPSR1 3316/4885KDM4E 745/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTR2C 2645/4885NPSR1 1532/4885KDM4E 2381/4885

“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.