SCHEMBL5121602

SCHEMBL5121602

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.63
HTR2C P28335 6/20 0.63
HTR1A P08908 4/20 0.63
HTR2A P28223 4/20 0.63
HTR2B P41595 4/20 0.63
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 4/20 0.63
NFKB1 P19838 3/20 0.63
BLM P54132 3/20 0.63
LMNA P02545 3/20 0.63
CYP3A4 P08684 3/20 0.63
TSHR P16473 3/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
PMP22 Q01453 2/20 0.63
HTR7 P34969 2/20 0.63
ADORA3 P0DMS8 1/20 0.63
ALOX15 P16050 1/20 0.63
SLC6A4 P31645 1/20 0.63
MTOR P42345 1/20 0.63

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
SCHEMBL27389219 0.85 KDM4E (0.61) HTR2CHTR1AHTR2AHTR2BKDM4E
SCHEMBL20271385 0.83 HTR2C (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL20271388 0.83 HTR2C (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL5122357 0.81 HTR2C (0.69) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL10407441 0.81 NPSR1 (0.69) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL10407439 0.81 NPSR1 (0.69) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL16590595 0.81 HTR2C (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL16577203 0.81 HTR2C (0.72) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL5121693 0.81 NPSR1 (0.67) NPSR1HTR2CHTR1AHTR2AHTR2B
SCHEMBL13176550 0.80 HTR2C (0.78) NPSR1HTR2CHTR1AHTR2AHTR2B

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 8 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
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 NPSR1 1532/4885HTR2C 2645/4885HTR1A 2508/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NPSR1 959/4885HTR2C 1797/4885HTR1A 1889/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885HTR2C 2645/4885HTR1A 2508/4885

“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.