SCHEMBL4180899

SCHEMBL4180899

CC1(C)Cc2cccc(N3CCNCC3)c2O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.49
ADRB1 P08588 5/20 0.49
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
SLC6A4 P31645 1/20 0.48
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
NCF1 P14598 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5364991 0.86 HTR6 (0.47) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL9048470 0.85 HTR1A (0.53) HTR1AHTR1DHTR1BSLC6A4POLB
SCHEMBL5366528 0.80 ADRB1 (0.50) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL4183887 0.79 SMN1; SMN2 (0.54) HTR1AHTR1DHTR1BSLC6A4POLB
SCHEMBL31051897 0.77 ADRB1 (0.61) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL4614879 0.76 HTR1A (0.39) HTR6HTR1AHTR1DHTR1BSLC6A4
SCHEMBL5370200 0.75 HTR6 (0.49) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL31052095 0.74 ADRB1 (0.61) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL5372034 0.71 ADRB1 (0.47) HTR6ADRB1HTR1AHTR1DHTR1B
SCHEMBL3605711 0.71 ADRB1 (0.65) HTR6ADRB1HTR1AHTR1DHTR1B

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED 2009-03-19 US 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
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders GLAXO GROUP LIMITED (GB) 2006-11-23 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
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 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
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO 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 (5 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 789/4885ADRB1 371/4885HTR1A 191/4885
US-20060287309-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR6 789/4885ADRB1 371/4885HTR1A 191/4885
US-20060287310-A1 [1,8]NAPHTHYRIDIN-2-ONES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA DRD1, DRD2, DRD3 HTR6 789/4885ADRB1 371/4885HTR1A 191/4885
US-20060264429-A1 Benzoxazinone derivatives, preparation thereof and uses in the treatment of cns and other disorders XDH, CYP4X1, PDHX HTR6 101/4885ADRB1 359/4885HTR1A 47/4885
US-20090076274-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS XDH, CYP4X1, PDHX HTR6 406/4885ADRB1 1042/4885HTR1A 476/4885

“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.