SCHEMBL5112414

SCHEMBL5112414

N[C@@H](Cc1ccc(O)cc1)c1cscn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.41
▸ ESR1 P03372 4/20 0.41
▸ ESR2 Q92731 4/20 0.41
▸ RAD52 P43351 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ ABAT P80404 1/20 0.34

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
SCHEMBL28614738 0.84 SLC6A4 (0.47) TAAR1SLC6A2RAD52
SCHEMBL14032660 0.81 ESR1 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL12597527 0.77 ESR1 (0.41) TAAR1SLC6A2ESR1ESR2OPRK1
SCHEMBL21514754 0.77 RAD52 (0.36) TAAR1RAD52
SCHEMBL13756707 0.75 ESR1 (0.42) TAAR1SLC6A2ESR1ESR2OPRK1
SCHEMBL5116815 0.73 LTA4H (0.47) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL5108196 0.72 TAAR1 (0.50) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL15281780 0.72 HTR2C (0.57) TAAR1MEN1MAPTKMT2A
SCHEMBL5121383 0.72 TAAR1 (0.46) TAAR1SLC6A2SLC7A5ESR1ESR2
SCHEMBL5332232 0.69 TAAR1 (0.59) TAAR1SLC6A2SLC7A5ESR1ESR2

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 9 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-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 TAAR1 1353/4885SLC6A2 4088/4885SLC7A5 1600/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 TAAR1 600/4885SLC6A2 3416/4885SLC7A5 838/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM TAAR1 1353/4885SLC6A2 4088/4885SLC7A5 1600/4885

“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.

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