SCHEMBL5226344

SCHEMBL5226344

c1cc(C2CC2)nc(N2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.58
HTR3B O95264 3/20 0.58
HTR3A P46098 3/20 0.58
HTR3D Q70Z44 3/20 0.58
HTR3C Q8WXA8 3/20 0.58
ALDH1A1 P00352 2/20 0.58
PIM1 P11309 6/20 0.51
PIM3 Q86V86 5/20 0.51
PIM2 Q9P1W9 5/20 0.51
HRH3 Q9Y5N1 2/20 0.49
HRH4 Q9H3N8 2/20 0.49
HTR6 P50406 2/20 0.49
HTR2C P28335 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
ADRB1 P08588 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL29475602 0.87 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL25318170 0.86 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27888335 0.82 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27872042 0.77 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6242154 0.77 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29949747 0.75 LMNA (0.50) KDM4EUSP2HTTHSD17B10
SCHEMBL24977300 0.75 LMNA (0.50) KDM4EUSP2HTTHSD17B10
SCHEMBL12685133 0.75 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4950526 0.74 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2586058 0.74 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100422181-C [1,8] naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-10-01 CN disclosed
CN-101189237-A Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2008-05-28 CN disclosed
EP-1869041-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2007-12-26 EP disclosed
US-7160888-B2 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT COMPANY LLC (US) 2007-01-09 US disclosed
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC 2006-12-21 US disclosed
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2006-10-19 US disclosed
WO-2006103559-A1 TETRAHYDRO-PYRIDOAZEPIN-8-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2006-10-05 WO disclosed
CN-1839134-A [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER LAMBERT CO (US) 2006-09-27 CN disclosed
EP-1660497-A1 [ 1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-05-31 EP disclosed
WO-2005019215-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-03-03 WO disclosed
US-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia WARNER-LAMBERT COMPANY LLC 2005-02-24 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 (4 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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885
US-20060234997-A1 Tetrahydro-pyridoazepin-8-ones and related compounds for the treatment of schizophrenia PTGDR, GRIN2A, PTGDR2 HTR3E 711/4885HTR3B 329/4885HTR3A 164/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR3E 1510/4885HTR3B 1000/4885HTR3A 1159/4885

“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.