SCHEMBL5373529

SCHEMBL5373529

O=C1CCc2cccc(N3CCNCC3)c2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.44
HTR6 P50406 5/20 0.44
DRD3 P35462 4/20 0.44
DRD2 P14416 3/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 3/20 0.44
HTR7 P34969 2/20 0.44
HTR5A P47898 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
NCF1 P14598 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
MTOR P42345 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44

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
Bromide SCHEMBL8880845 0.98 ADRB1 (0.43) ADRB1HTR6DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL5374469 0.98 LMNA (0.45) ADRB1HTR6DRD3DRD2HTR1A
SCHEMBL20129632 0.86 AHR (0.50) ADRB1HTR6DRD3DRD2HTR1A
SCHEMBL11194827 0.76 DRD2 (0.49) ADRB1HTR6DRD3DRD2HTR1A
SCHEMBL5372181 0.75 ADRB1 (0.46) ADRB1HTR6DRD3DRD2HTR1A
SCHEMBL9118227 0.75 HTR2C (0.46) ADRB1HTR6DRD3DRD2HTR1A
Bromide SCHEMBL11196359 0.75 DRD2 (0.48) ADRB1HTR6DRD3DRD2HTR1A
SCHEMBL5373690 0.74 BACE1 (0.50) ALDH1A1LMNA
SCHEMBL21995763 0.74 ADRB1 (0.52) ADRB1HTR6DRD3DRD2HTR1A
Hydrochloric Acid SCHEMBL11196563 0.74 DRD2 (0.47) ADRB1HTR6DRD3DRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20050043309-A1 [1,8]naphthyridin-2-ones and related compounds for the treatment of schizophrenia DRD1, DRD2, DRD3 ADRB1 371/4885HTR6 789/4885DRD3 3/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885HTR6 789/4885DRD3 3/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885HTR6 789/4885DRD3 3/4885

“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.