SCHEMBL5373855

SCHEMBL5373855

CC(=O)c1cccc(N2CCNCC2)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.60
DRD2 P14416 3/20 0.60
DRD3 P35462 3/20 0.60
HTR2A P28223 3/20 0.60
HTR2C P28335 2/20 0.60
DRD4 P21917 1/20 0.60
ADRB1 P08588 6/20 0.59
HTR3A P46098 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
MT-CO2 P00403 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
HTR3E A5X5Y0 3/20 0.44
HTR3B O95264 3/20 0.44
HTR6 P50406 3/20 0.44
HTR3D Q70Z44 3/20 0.44
HTR3C Q8WXA8 3/20 0.44
SIGMAR1 Q99720 3/20 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
Trifluoroacetic Acid SCHEMBL5370201 0.91 DRD2 (0.51) HTR1ADRD2DRD3HTR2AHTR2C
Tert-Butyl Formate SCHEMBL27635421 0.88 DRD2 (0.48) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL20516446 0.86 ADRB1 (0.61) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL21122344 0.85 ADRB1 (0.59) HTR1ADRD2DRD3HTR2AHTR2C
SCHEMBL31349267 0.84 ADRB1 (0.56) HTR1ADRD2DRD3HTR2AADRB1
SCHEMBL4458672 0.84 ADRB1 (0.56) HTR1ADRD2DRD3HTR2AADRB1
Hydrochloric Acid SCHEMBL20516390 0.84 ADRB1 (0.58) HTR1ADRD2DRD3HTR2AHTR2C
Hydrochloric Acid SCHEMBL2322522 0.83 ADRB1 (0.54) HTR1ADRD2DRD3HTR2AADRB1
SCHEMBL5363288 0.82 HTR6 (0.56) HTR1ADRD2DRD3HTR2AHTR2C
Acetic Acid SCHEMBL28309082 0.82 DRD2 (0.79) HTR1ADRD2DRD3HTR2AHTR2C

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 HTR1A 191/4885DRD2 2/4885DRD3 3/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885DRD2 2/4885DRD3 3/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR1A 191/4885DRD2 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.