SCHEMBL5366528

SCHEMBL5366528

CC1(C)COc2c(cccc2N2CCNCC2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.50
HTR2A P28223 3/20 0.41
HTR6 P50406 3/20 0.41
HTR7 P34969 2/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
NCF1 P14598 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
MTOR P42345 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL4180899 0.80 HTR6 (0.49) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL31052095 0.75 ADRB1 (0.61) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL3605711 0.75 ADRB1 (0.65) ADRB1HTR2AHTR6HTR7DRD2
Hydrochloric Acid SCHEMBL5365168 0.74 ADRB1 (0.63) ADRB1HTR2AHTR6HTR7DRD2
Hydrochloric Acid SCHEMBL5223815 0.74 ADRB1 (0.63) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL5371717 0.73 ADRB1 (0.48) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL3615477 0.72 ADRB1 (0.61) ADRB1HTR2AHTR6DRD2DRD3
SCHEMBL3569730 0.72 ADRB1 (0.54) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL5364991 0.72 HTR6 (0.47) ADRB1HTR2AHTR6HTR7DRD2
SCHEMBL31051897 0.72 ADRB1 (0.61) ADRB1HTR2AHTR6HTR7DRD2

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 ADRB1 371/4885HTR2A 328/4885HTR6 789/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885HTR2A 328/4885HTR6 789/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 ADRB1 371/4885HTR2A 328/4885HTR6 789/4885

“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.