SCHEMBL5115709

SCHEMBL5115709

CN[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
NFKB1 P19838 3/20 0.56
CYP2D6 P10635 3/20 0.56
HTR1A P08908 2/20 0.56
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP1A2 P05177 2/20 0.56
HTR1D P28221 1/20 0.56
HTR1B P28222 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 4/20 0.56
LMNA P02545 3/20 0.56
BLM P54132 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 2/20 0.56
PMP22 Q01453 2/20 0.56
CYP3A4 P08684 2/20 0.56

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
Hydrochloric Acid SCHEMBL5115705 0.99 HTR2C (0.55) HTR2CNFKB1CYP2D6HTR1AHTR2A
Hydrochloric Acid SCHEMBL5115698 0.99 HTR2C (0.55) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL11734541 0.88 TACR1 (0.58) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL6984435 0.88 TACR1 (0.58) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL30359421 0.88 TACR1 (0.60) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL14117402 0.87 HTR2C (0.59) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL12885480 0.87 NPSR1 (0.66) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL31575704 0.87 NPSR1 (0.66) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL18523423 0.87 NPSR1 (0.66) HTR2CNFKB1CYP2D6HTR1AHTR2A
SCHEMBL15628061 0.87 HTR2C (0.59) HTR2CNFKB1CYP2D6HTR1AHTR2A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 2645/4885NFKB1 2433/4885CYP2D6 343/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 HTR2C 1797/4885NFKB1 2464/4885CYP2D6 210/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTR2C 2645/4885NFKB1 2433/4885CYP2D6 343/4885

“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.