SCHEMBL6368497

SCHEMBL6368497

Nc1ccc(CCNC2=NCCO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.39
▸ ADRA2A P08913 5/20 0.39
▸ ADRA2B P18089 5/20 0.39
▸ ADRA2C P18825 5/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 2/20 0.35
▸ AURKA O14965 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA6 P23280 1/20 0.34
▸ CA5A P35218 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ CA14 Q9ULX7 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
SCHEMBL6369532 0.84 TMEM97 (0.43) ADRA2AADRA2BADRA2CALDH1A1SIGMAR1
SCHEMBL4217069 0.84 ADRA2A (0.52) ADRA2AADRA2BADRA2CTSHRALDH1A1
SCHEMBL6375440 0.79 HRH3 (0.43) TSHRHRH3CA12CA1CA2
SCHEMBL4401199 0.75 ADRA2A (0.45) ADRA2AADRA2BADRA2CTSHR
SCHEMBL9558829 0.70 ADRA2A (0.46) ADRA2AADRA2BADRA2CTSHR
SCHEMBL11125378 0.69 — —
SCHEMBL24533674 0.68 — —
SCHEMBL2023829 0.67 ADRA2A (0.50) ADRA2AADRA2BADRA2CMAOA
SCHEMBL9558509 0.66 ADRA2A (0.43) ADRA2AADRA2BADRA2CTSHRMAOA
SCHEMBL6368496 0.66 ADRA2A (0.42) ADRA2AADRA2BADRA2CTSHRALDH1A1

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 GFER 1216/4885ADRA2A 137/4885ADRA2B 98/4885

“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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