SCHEMBL6368700

SCHEMBL6368700

COc1ccc(OCCNC2=NCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ TSHR P16473 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ RYR2 Q92736 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL6368944 0.85 DRD4 (0.45) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL11246301 0.79 RAB9A (0.47) TSHRADRA2AADRA1ATAAR1MAPT
SCHEMBL4401199 0.72 ADRA2A (0.45) KDM4ETSHRADRA2AADRA1ATAAR1
SCHEMBL10543170 0.71 CYSLTR1 (0.52) —
SCHEMBL9003746 0.69 HDAC3 (0.47) KCNH2HRH3MAPTMEN1KMT2A
SCHEMBL2468934 0.67 HTR1B (0.67) KDM4EMTNR1AMTNR1BDRD2DRD4
SCHEMBL1343630 0.66 CA12 (0.65) KDM4EMTNR1AMTNR1BDRD2DRD4
Hydrochloric Acid SCHEMBL8057930 0.66 DRD4 (0.79) KDM4EMTNR1AMTNR1BDRD2DRD4
SCHEMBL6255082 0.66 HTR1B (0.68) KDM4EMTNR1AMTNR1BDRD2DRD4
Bromide SCHEMBL9463695 0.66 HTR1B (0.64) KDM4EMTNR1AMTNR1BDRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119461-A1 Novel receptor, and compounds which bind thereto THE UNIVERSITY OF MELBOURNE 2005-06-02 — — US disclosed
EP-1044194-A4 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS UNIV MELBOURNE (AU) 2002-01-09 — — EP disclosed
EP-1044194-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 2000-10-18 — — EP disclosed
WO-1999024411-A1 RECEPTOR WITH AN AFFINITY FOR COMPOUNDS OF THE OXAZOLINE CLASS THE UNIVERSITY OF MELBOURNE (AU) 1999-05-20 — — 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 (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-20050119461-A1 Novel receptor, and compounds which bind thereto GPR27, GPR174, GPR52 KDM4E 4168/4885MTNR1A 173/4885MTNR1B 160/4885

“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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