SCHEMBL6368944

SCHEMBL6368944

c1ccc(OCCNC2=NCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.45
▸ HTR1B P28222 2/20 0.45
▸ DRD2 P14416 2/20 0.45
▸ DRD3 P35462 2/20 0.45
▸ HTR1D P28221 1/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41

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
SCHEMBL4217069 0.76 ADRA2A (0.52) MAOAMAOBHTR1ANPC1RAB9A
SCHEMBL10543170 0.76 CYSLTR1 (0.52) —
SCHEMBL4401199 0.74 ADRA2A (0.45) HTR1AMAPTADRA2AADRA2BADRA2C
SCHEMBL17237511 0.72 TAAR1 (0.46) DRD4HTR1BDRD2DRD3HTR1D
SCHEMBL7849175 0.69 MAOA (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8725186 0.69 DRD4 (0.61) DRD4HTR1BDRD2DRD3HTR1D
SCHEMBL8973128 0.68 HTR7 (0.56) DRD4HTR1BDRD2DRD3HTR1D
SCHEMBL6690229 0.68 DRD4 (0.46) DRD4HTR1BDRD2DRD3HTR1D
SCHEMBL11125378 0.68 — —
SCHEMBL10143149 0.67 — —

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 DRD4 1256/4885HTR1B 360/4885DRD2 899/4885

“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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