SCHEMBL5362969

SCHEMBL5362969

Fc1ccc(N2CCNCC2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.65
HTR7 P34969 3/20 0.59
NCF1 P14598 2/20 0.59
HTR1A P08908 2/20 0.59
HTR3A P46098 2/20 0.59
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
NFKB1 P19838 1/20 0.59
HTR1D P28221 1/20 0.59
HTR1B P28222 1/20 0.59
HTR2A P28223 1/20 0.59
MTOR P42345 1/20 0.59
HTR5A P47898 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SIGMAR1 Q99720 1/20 0.59

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
SCHEMBL5370353 0.89 HTR6 (0.64) HTR6HTR7NCF1HTR1AHTR3A
Hydrochloric Acid SCHEMBL5254130 0.88 KDM4E (0.65) HTR6HTR7NCF1HTR1AHTR3A
Tert-Butyl Formate SCHEMBL27656325 0.84 HTR6 (0.48) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL16156551 0.79 HTR6 (0.65) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL16156713 0.79 HTR6 (1.00) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL3622302 0.79 HTR6 (0.65) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL19284573 0.78 HTR6 (0.59) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL30735843 0.78 HTR6 (0.59) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL28710430 0.78 NCF1 (0.58) HTR6HTR7NCF1HTR1AHTR3A
SCHEMBL3566110 0.78 MAPT (0.62) HTR6HTR7NCF1HTR1AHTR2A

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 8 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
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
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 (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 HTR6 789/4885HTR7 426/4885NCF1 1186/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR6 789/4885HTR7 426/4885NCF1 1186/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR6 789/4885HTR7 426/4885NCF1 1186/4885

“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.