SCHEMBL5369150

SCHEMBL5369150

CC(=O)c1c(Cl)cccc1N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.60
DRD2 P14416 2/20 0.59
DRD3 P35462 2/20 0.59
HTR1A P08908 9/20 0.52
HTR2A P28223 3/20 0.52
HTR2C P28335 2/20 0.52
DRD4 P21917 1/20 0.52
CYP1A2 P05177 7/20 0.51
CYP2D6 P10635 7/20 0.51
HTR3A P46098 7/20 0.51
CYP3A4 P08684 6/20 0.51
CYP2C9 P11712 6/20 0.51
SLC6A2 P23975 1/20 0.45
HTR6 P50406 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR7 P34969 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 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
Acetic Acid SCHEMBL28946871 0.83 ADRB1 (0.77) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5364769 0.82 CYP1A2 (0.49) ADRB1DRD2DRD3HTR1AHTR2A
Acetic Acid SCHEMBL28309082 0.82 DRD2 (0.79) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL19287050 0.82 AKR1C3 (0.55) CYP1A2CYP3A4CYP2C19TSHRHSD17B10
Bicarbonate SCHEMBL11621260 0.79 ADRB1 (0.82) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5373855 0.79 HTR1A (0.60) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL18600525 0.77 MAPT (0.47) ADRB1HTR6HTR7HTT
SCHEMBL29446047 0.76 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL5785574 0.76 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A
SCHEMBL230424 0.76 ADRB1 (1.00) ADRB1DRD2DRD3HTR1AHTR2A

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 371/4885DRD2 2/4885DRD3 3/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 3/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885DRD2 2/4885DRD3 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.