SCHEMBL5113354

SCHEMBL5113354

O=C1c2ccccc2C(=O)N1CCCN1CCC(O)CC1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.61
ALDH1A1 P00352 1/20 0.60
MAOB P27338 2/20 0.59
HTR7 P34969 1/20 0.59
HRH1 P35367 1/20 0.59
DRD3 P35462 1/20 0.59
HTR2B P41595 1/20 0.59
DRD2 P14416 1/20 0.55

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
SCHEMBL5730330 0.97 HTR1A (0.63) HTR1AALDH1A1MAOBHTR7HRH1
SCHEMBL29459507 0.86 HTR1A (0.62) HTR1AALDH1A1MAOBHTR7HRH1
SCHEMBL26992312 0.86 HTR1A (0.62) HTR1AALDH1A1MAOBHTR7HRH1
SCHEMBL13469510 0.85 HTR1A (0.79) HTR1AMAOBDRD3DRD2
SCHEMBL7989673 0.82 HTR1A (0.62) HTR1AALDH1A1MAOBHTR7DRD3
SCHEMBL1569172 0.82 HTR1A (0.69) HTR1AMAOBDRD3DRD2
SCHEMBL14028451 0.82 HTR1A (0.79) HTR1AMAOBDRD3DRD2
SCHEMBL10857215 0.81 HTR1A (0.68) HTR1AMAOBHRH1DRD3DRD2
SCHEMBL2250329 0.81 MAOB (0.59) HTR1AALDH1A1MAOBHTR7HRH1
SCHEMBL2362765 0.81 HTR1A (0.68) HTR1AMAOBDRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-7468380-B2 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-12-23 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-20070004764-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-01-04 US disclosed
US-7109219-B2 Nitrogen-containing aromatic derivatives EISAI CO., LTD. (JP) 2006-09-19 US disclosed
US-20060004029-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-01-05 US disclosed
US-20050187236-A1 Nitrogen-containing aromatic derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-08-25 US disclosed
EP-1522540-A1 AZAARENE DERIVATIVES Eisai Co., Ltd. (JP) 2005-04-13 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 (3 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-20060004029-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 HTR1A 179/4885ALDH1A1 1501/4885MAOB 314/4885
US-20050187236-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 HTR1A 179/4885ALDH1A1 1501/4885MAOB 314/4885
US-20070004764-A1 Nitrogen-containing aromatic derivatives NR0B2, NR0B1, NR4A1 HTR1A 179/4885ALDH1A1 1501/4885MAOB 314/4885

“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.