SCHEMBL2414713

SCHEMBL2414713

Fc1ccccc1N1[CH]CNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR7 P34969 3/20 0.38
ADRB1 P08588 2/20 0.38
HTR6 P50406 3/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
SLC6A3 Q01959 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL3482920 0.79 HTR2C (0.38) HTR1ASLC6A2SLC6A4HTR7HTR2B
SCHEMBL7438142 0.79 ADRB1 (0.59) HTR1ASLC6A2HTR7ADRB1HTR2B
SCHEMBL2209185 0.79 ADRB1 (0.58) HTR1AHTR7ADRB1HTR6HTR2B
SCHEMBL8357275 0.78 EPHX2 (0.44) HTR1ASLC6A2SLC6A4MEN1KMT2A
SCHEMBL3483188 0.75 DRD2 (0.61) HTR1AHTR7ADRB1HTR6HTR2B
SCHEMBL2414711 0.73 ADRB1 (0.62) HTR1ASLC6A2SLC6A4HTR7ADRB1
SCHEMBL29448034 0.73 ADRB1 (0.62) HTR1ASLC6A2SLC6A4HTR7ADRB1
SCHEMBL234734 0.73 ADRB1 (0.62) HTR1ASLC6A2SLC6A4HTR7ADRB1
SCHEMBL739058 0.73 SIGMAR1 (0.52) HTR1ASLC6A2SLC6A4MEN1KMT2A
SCHEMBL6352703 0.72 DRD2 (0.60) HTR1ASLC6A2SLC6A4ADRB1HTR6

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
WO-2024150963-A1 NOVEL COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 광주과학기술원 2024-07-18 WO disclosed
EP-1963288-B1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION GRUENENTHAL GMBH (DE) 2011-09-07 EP disclosed
US-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 US disclosed
EP-1963288-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2008-09-03 EP disclosed
WO-2007079928-A1 SUBSTITUTED OXAZOLE DERIVATIVES WITH AN ANALGESIC ACTION Grünenthal GmbH (DE) 2007-07-19 WO disclosed
WO-1999031096-A1 PIPERAZINE DERIVATIVES USEFUL AS HYPOGLYCEMIC AGENTS SHAMAN PHARMACEUTICALS, INC. (US) 1999-06-24 WO disclosed
EP-0479665-A2 1,4-Dihydropyridine derivatives, method for preparing the same and use thereof TEIKOKU CHEMICAL INDUSTRIES CO., LTD. (JP) 1992-04-08 EP 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 (1 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-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 HTR1A 278/4885SLC6A2 1108/4885SLC6A4 1057/4885

“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.