SCHEMBL5116327

SCHEMBL5116327

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.54
HTR2C P28335 4/20 0.54
KMT2A Q03164 4/20 0.54
HTR1A P08908 3/20 0.54
HTR2B P41595 3/20 0.54
BLM P54132 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
TSHR P16473 2/20 0.54
NFKB1 P19838 2/20 0.54
PMP22 Q01453 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALOX15 P16050 1/20 0.54
SLC6A4 P31645 1/20 0.54
HTR7 P34969 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL5116320 1.00 HTR2A (0.54) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL20931090 0.90 TACR1 (0.54) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL1196826 0.87 TACR1 (0.57) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL471920 0.87 NPSR1 (0.72) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL6784869 0.87 TACR1 (0.57) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL6775810 0.87 NPSR1 (0.72) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL6302625 0.86 HTR2B (0.68) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL5165399 0.86 HTR2A (0.64) HTR2AHTR2CKMT2AHTR1AHTR2B
SCHEMBL19489919 0.86 HTR2A (0.64) HTR2AHTR2CKMT2AHTR1AHTR2B
Hydrochloric Acid SCHEMBL5123328 0.86 NPSR1 (0.70) HTR2AHTR2CKMT2AHTR1AHTR2B

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
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
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

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 HTR2A 4552/4885HTR2C 2645/4885KMT2A 3370/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 HTR2A 4472/4885HTR2C 1797/4885KMT2A 4303/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM HTR2A 4552/4885HTR2C 2645/4885KMT2A 3370/4885

“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.