SCHEMBL1100258

SCHEMBL1100258

C1=[N+]c2ccccc2CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
HTR2C P28335 1/20 0.32
PRCP P42785 1/20 0.31
CYP11B2 P19099 1/20 0.31
GAA P10253 1/20 0.31
RET P07949 1/20 0.30
HTR2A P28223 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL722804 0.75
SCHEMBL9720203 0.65
SCHEMBL862127 0.62 TSHR (0.56) TSHRHTR2CCES1
SCHEMBL862128 0.62 TSHR (0.56) TSHRHTR2CCES1
SCHEMBL4166748 0.62 TSHR (0.56) TSHRHTR2CCES1
SCHEMBL4465325 0.59 TSHR (0.71) TSHRHTR2CRETHTR2ACES1
SCHEMBL34906 0.59
SCHEMBL29351986 0.59
SCHEMBL33555 0.59
Bromide SCHEMBL917076 0.57

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US claimed
US-10858326-B2 Oxazoline pseudodimers, pharmaceutical compositions and the use thereof PURDUE PHARMA L.P. (US) 2020-12-08 US claimed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US claimed
US-20190144400-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2019-05-16 US claimed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP claimed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO claimed
EP-2121641-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN LA ROCHE (CH) 2014-09-24 EP claimed
EP-2121641-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-25 EP claimed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US claimed
WO-2008098857-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO claimed
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2022-09-08 US disclosed
US-10858326-B2 Oxazoline pseudodimers, pharmaceutical compositions and the use thereof PURDUE PHARMA L.P. (US) 2020-12-08 US disclosed
US-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2019-07-04 US disclosed
US-20190144400-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF PURDUE PHARMA L.P. (US) 2019-05-16 US disclosed
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 EP disclosed
US-5925731-A FOR TREATMENT OR PROPHYLAXIS OF ACUTE RENAL FAILURE, MYOCARDIAL INFARCTION, HEPATIC DISEASE, OR BRONCHIAL DISORDER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-20 US disclosed
EP-0852584-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011961-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 WO disclosed
US-5360568-A 3,4-dihydroisoquinolinium salt and peroxygen compound mixture; low temperature LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-11-01 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 (5 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-20190201410-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 TSHR 190/4885HTR2C 180/4885PRCP 3777/4885
US-20220280527-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT TAAR1, TAAR5, OPRL1 TSHR 163/4885HTR2C 208/4885PRCP 3588/4885
US-10858326-B2 Oxazoline pseudodimers, pharmaceutical compositions and the use thereof OPRM1, OPRD1, CYP3A7 TSHR 4477/4885HTR2C 303/4885PRCP 2641/4885
US-20190144400-A1 OXAZOLINE PSEUDODIMERS, PHARMACEUTICAL COMPOSITIONS AND THE USE THEREOF OPRM1, OPRD1, CYP3A7 TSHR 4477/4885HTR2C 303/4885PRCP 2641/4885
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 TSHR 19/4885HTR2C 61/4885PRCP 3391/4885

“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.