SCHEMBL6690229

SCHEMBL6690229

c1ccc(OCCNc2conn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.46
▸ DRD2 P14416 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ HTR1B P28222 2/20 0.46
▸ HTR1D P28221 1/20 0.46
▸ HTR7 P34969 3/20 0.43
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ CETP P11597 1/20 0.41
▸ MAP3K5 Q99683 1/20 0.41
▸ MTNR1A P48039 1/20 0.41
▸ MTNR1B P49286 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8725186 0.70 DRD4 (0.61) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL8973128 0.69 HTR7 (0.56) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL11306777 0.68 HTR7 (0.51) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL11111797 0.68 PIK3CD (0.53) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL31240737 0.68 HTR7 (0.57) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL6368944 0.68 DRD4 (0.45) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL8938905 0.67 DRD4 (0.91) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL6672805 0.67 F2 (0.68) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL30831152 0.67 MAP3K5 (0.45) DRD4DRD2DRD3HTR1BHTR1D
SCHEMBL20928397 0.67 MAP3K5 (0.45) DRD4DRD2DRD3HTR1BHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004069195-A2 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISORDERS OF THE AIRWAYS IVAX CORPORATION (US) 2004-08-19 — — WO disclosed
US-20040152694-A1 Methods and compositions for treating inflammatory disorders of the airways IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 — — 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 (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-20040152694-A1 Methods and compositions for treating inflammatory disorders of the airways LTB4R2, LTB4R, LTC4S DRD4 3904/4885DRD2 3648/4885DRD3 3396/4885

“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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