SCHEMBL5373371

SCHEMBL5373371

CN(C)c1ccc2cccc(N3CCNCC3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.58
HTR2C P28335 1/20 0.58
SLC6A4 P31645 1/20 0.58
HTR6 P50406 6/20 0.49
HTR5A P47898 2/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3A P46098 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
NCF1 P14598 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 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
SCHEMBL3560188 0.81 HTR2A (0.63) HTR2AHTR2CSLC6A4HTR6HTR5A
Hydrochloric Acid SCHEMBL4008999 0.79 HTR2A (0.61) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL4968929 0.78 HTR2A (0.63) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL5379037 0.77 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL4014210 0.77 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL5223620 0.77 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL1045944 0.74 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL5372201 0.74 HTR2A (0.58) HTR2AHTR2CSLC6A4HTR6HTR5A
SCHEMBL5363560 0.74 CKS1B (0.45) LMNAALDH1A1MAPT
Methyl Alcohol SCHEMBL27731985 0.74 HTR2A (0.91) HTR2AHTR2CSLC6A4HTR6HTR5A

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 HTR2A 328/4885HTR2C 330/4885SLC6A4 1410/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR2A 328/4885HTR2C 330/4885SLC6A4 1410/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR2A 328/4885HTR2C 330/4885SLC6A4 1410/4885

“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.