SCHEMBL934548

SCHEMBL934548

NC(=O)CCCc1ccsc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.53
NAAA Q02083 1/20 0.47
GRM2 Q14416 1/20 0.43
GRM3 Q14832 1/20 0.43
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GLS O94925 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38
HDAC4 P56524 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL28304375 0.94 NAAA (0.52) TAAR1NAAAGRM2GRM3SLC1A3
Hydrochloric Acid SCHEMBL27525503 0.93 NAAA (0.51) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL934620 0.93 NAAA (0.55) TAAR1NAAAGRM2GRM3SLC1A3
Hydrochloric Acid SCHEMBL27560544 0.91 NAAA (0.50) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL2102408 0.90 TAAR1 (0.55) TAAR1NAAAGRM2GRM3SLC1A3
Hydrochloric Acid SCHEMBL5347350 0.89 TAAR1 (0.53) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL600268 0.85 SMN1; SMN2 (0.57) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL3346301 0.83 TAAR1 (0.47) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL21962294 0.83 TAAR1 (0.47) TAAR1NAAAGRM2GRM3SLC1A3
SCHEMBL7820450 0.82 TAAR1 (0.47) TAAR1NAAAGRM2GRM3SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US claimed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP claimed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP claimed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US claimed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO claimed
CN-109790079-B C (sp) of organozinc reagents and heterocyclic (pseudo) halides3)-C(sp2) Cross-coupling reaction 香港科技大学 2022-06-03 CN disclosed
CN-109790079-A C (the sp of organic zinc reagent and heterocycle (quasi-) halide3)-C(sp2) cross-coupling reaction 香港科技大学 2019-05-21 CN disclosed
WO-2018019291-A1 C(SP3)-C(SP2) CROSS-COUPLING REACTION OF ORGANOZINC REAGENTS AND HETEROCYCLIC (PSEUDO)HALIDES THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2018-02-01 WO disclosed
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
US-20100168156-A1 Novel Benzoxathiine Derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-01 US disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1944301-A1 NOVEL BENZOXATHIIN DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-07-16 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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-20100168156-A1 Novel Benzoxathiine Derivative XDH, GPR119, BRIX1 TAAR1 1231/4885NAAA 3384/4885GRM2 2296/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TAAR1 4610/4885NAAA 2242/4885GRM2 4792/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TAAR1 4610/4885NAAA 2242/4885GRM2 4792/4885

“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.